1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine

C54H120N10O — CID 91291877

IUPAC1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine
SMILESCC(C)CN1CCCCC1.CC(C)CN1CCOCC1.CCCCN1CCCCC1.CCN(CC)CC(C)C.CN(C)CC(C)(C)C.CN1CCN(CC(N)CN2CCN(C)CC2)CC1
InChIInChI=1S/C13H29N5.2C9H19N.C8H17NO.C8H19N.C7H17N/c1-15-3-7-17(8-4-15)11-13(14)12-18-9-5-16(2)6-10-18;1-9(2)8-10-6-4-3-5-7-10;1-2-3-7-10-8-5-4-6-9-10;1-8(2)7-9-3-5-10-6-4-9;1-5-9(6-2)7-8(3)4;1-7(2,3)6-8(4)5/h13H,3-12,14H2,1-2H3;9H,3-8H2,1-2H3;2-9H2,1H3;8H,3-7H2,1-2H3;8H,5-7H2,1-4H3;6H2,1-5H3
InChIKeyGVRBKTUIGOMIEO-UHFFFAOYSA-N
MW925.62 g/mol
LogP7.76
Rot. Bonds16

About 1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine

1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine (PubChem CID 91291877) has the molecular formula C54H120N10O and a molecular weight of 925.62 g/mol. Its IUPAC name is 1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine.

Molecular Properties

Compound Name1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine
PubChem CID91291877
Molecular FormulaC54H120N10O
Molecular Weight925.62 g/mol
Exact Mass924.96
IUPAC Name1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine
SMILESCC(C)CN1CCCCC1.CC(C)CN1CCOCC1.CCCCN1CCCCC1.CCN(CC)CC(C)C.CN(C)CC(C)(C)C.CN1CCN(CC(N)CN2CCN(C)CC2)CC1
InChIInChI=1S/C13H29N5.2C9H19N.C8H17NO.C8H19N.C7H17N/c1-15-3-7-17(8-4-15)11-13(14)12-18-9-5-16(2)6-10-18;1-9(2)8-10-6-4-3-5-7-10;1-2-3-7-10-8-5-4-6-9-10;1-8(2)7-9-3-5-10-6-4-9;1-5-9(6-2)7-8(3)4;1-7(2,3)6-8(4)5/h13H,3-12,14H2,1-2H3;9H,3-8H2,1-2H3;2-9H2,1H3;8H,3-7H2,1-2H3;8H,5-7H2,1-4H3;6H2,1-5H3
InChIKeyGVRBKTUIGOMIEO-UHFFFAOYSA-N
XLogP7.76
TPSA64.41 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500925.62
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine?
The IUPAC name of 1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine (CID 91291877) is 1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine.
What is the SMILES notation for 1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine?
The canonical SMILES for 1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine is CC(C)CN1CCCCC1.CC(C)CN1CCOCC1.CCCCN1CCCCC1.CCN(CC)CC(C)C.CN(C)CC(C)(C)C.CN1CCN(CC(N)CN2CCN(C)CC2)CC1.
What is the InChIKey of 1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine?
The InChIKey is GVRBKTUIGOMIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5.2C9H19N.C8H17NO.C8H19N.C7H17N/c1-15-3-7-17(8-4-15)11-13(14)12-18-9-5-16(2)6-10-18;1-9(2)8-10-6-4-3-5-7-10;1-2-3-7-10-8-5-4-6-9-10;1-8(2)7-9-3-5-10-6-4-9;1-5-9(6-2)7-8(3)4;1-7(2,3)6-8(4)5/h13H,3-12,14H2,1-2H3;9H,3-8H2,1-2H3;2-9H2,1H3;8H,3-7H2,1-2H3;8H,5-7H2,1-4H3;6H2,1-5H3.
What are the key properties of 1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine?
1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine has a molecular weight of 925.62 g/mol, XLogP of 7.76, 16 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine is sourced from PubChem (CID 91291877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).