1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine

C97H208N14O7 — CID 157187216

IUPAC1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H37N3O.C17H36N2O2.C17H36N2O.C16H35N3O.C16H34N2O.C14H30N2O/c1-16(2,3)18-8-11-19-9-7-10-20(13-12-19)14-15-21-17(4,5)6;1-16(2,3)20-14-12-18-8-7-9-19(11-10-18)13-15-21-17(4,5)6;1-16(2,3)18-10-7-15-8-11-19(12-9-15)13-14-20-17(4,5)6;1-15(2,3)17-7-8-18-9-11-19(12-10-18)13-14-20-16(4,5)6;1-15(2,3)17-13-14-7-9-18(10-8-14)11-12-19-16(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6/h18H,7-15H2,1-6H3;7-15H2,1-6H3;15,18H,7-14H2,1-6H3;17H,7-14H2,1-6H3;14,17H,7-13H2,1-6H3;7-12H2,1-6H3
InChIKeyAPGLQWKKLYTQMO-UHFFFAOYSA-N
MW1682.82 g/mol
LogP15.04
Rot. Bonds32

About 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine

1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine (PubChem CID 157187216) has the molecular formula C97H208N14O7 and a molecular weight of 1682.82 g/mol. Its IUPAC name is 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine
PubChem CID157187216
Molecular FormulaC97H208N14O7
Molecular Weight1682.82 g/mol
Exact Mass1681.64
IUPAC Name1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H37N3O.C17H36N2O2.C17H36N2O.C16H35N3O.C16H34N2O.C14H30N2O/c1-16(2,3)18-8-11-19-9-7-10-20(13-12-19)14-15-21-17(4,5)6;1-16(2,3)20-14-12-18-8-7-9-19(11-10-18)13-15-21-17(4,5)6;1-16(2,3)18-10-7-15-8-11-19(12-9-15)13-14-20-17(4,5)6;1-15(2,3)17-7-8-18-9-11-19(12-10-18)13-14-20-16(4,5)6;1-15(2,3)17-13-14-7-9-18(10-8-14)11-12-19-16(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6/h18H,7-15H2,1-6H3;7-15H2,1-6H3;15,18H,7-14H2,1-6H3;17H,7-14H2,1-6H3;14,17H,7-13H2,1-6H3;7-12H2,1-6H3
InChIKeyAPGLQWKKLYTQMO-UHFFFAOYSA-N
XLogP15.04
TPSA145.13 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds32
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001682.82
LogP ≤ 515.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine (CID 157187216) is 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine is CC(C)(C)NCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCC1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)NCCN1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is APGLQWKKLYTQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O.C17H36N2O2.C17H36N2O.C16H35N3O.C16H34N2O.C14H30N2O/c1-16(2,3)18-8-11-19-9-7-10-20(13-12-19)14-15-21-17(4,5)6;1-16(2,3)20-14-12-18-8-7-9-19(11-10-18)13-15-21-17(4,5)6;1-16(2,3)18-10-7-15-8-11-19(12-9-15)13-14-20-17(4,5)6;1-15(2,3)17-7-8-18-9-11-19(12-10-18)13-14-20-16(4,5)6;1-15(2,3)17-13-14-7-9-18(10-8-14)11-12-19-16(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6/h18H,7-15H2,1-6H3;7-15H2,1-6H3;15,18H,7-14H2,1-6H3;17H,7-14H2,1-6H3;14,17H,7-13H2,1-6H3;7-12H2,1-6H3.
What are the key properties of 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine?
1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 1682.82 g/mol, XLogP of 15.04, 32 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine;2-methyl-N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 157187216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).