N-methyl-1-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]azetidin-3-amine;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine;1-propan-2-yl-4-[(1R)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]piperazine;(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane

C101H207N17O2 — CID 164967292

IUPACN-methyl-1-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]azetidin-3-amine;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine;1-propan-2-yl-4-[(1R)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]piperazine;(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1CCC(CCCN2C[C@H]3C[C@@H]2CN3C(C)C)CC1.CC(C)N1CCC(CCN(C)C2CN(C(C)C)C2)CC1.CC(C)N1CCC(OCCCN2CCN(C(C)C)CC2)CC1.CC(C)N1CCC([C@@H](C)N2CCN(C(C)C)CC2)CC1.CC(C)N1CCN(CCC2CN(C(C)C)C2)CC1.CC(C)OCCCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C19H37N3.C18H37N3O.2C17H35N3.C15H31N3.C15H32N2O/c1-15(2)20-10-7-17(8-11-20)6-5-9-21-13-19-12-18(21)14-22(19)16(3)4;1-16(2)20-9-6-18(7-10-20)22-15-5-8-19-11-13-21(14-12-19)17(3)4;1-14(2)19-10-7-16(8-11-19)6-9-18(5)17-12-20(13-17)15(3)4;1-14(2)18-8-6-17(7-9-18)16(5)20-12-10-19(11-13-20)15(3)4;1-13(2)17-9-7-16(8-10-17)6-5-15-11-18(12-15)14(3)4;1-14(2)17-11-9-16(10-12-17)8-6-5-7-13-18-15(3)4/h15-19H,5-14H2,1-4H3;16-18H,5-15H2,1-4H3;2*14-17H,6-13H2,1-5H3;13-15H,5-12H2,1-4H3;14-15H,5-13H2,1-4H3/t18-,19-;;;16-;;/m1..1../s1
InChIKeyCQNJRTHYUWVSAQ-GMRGQFIBSA-N
MW1691.88 g/mol
LogP14.74
Rot. Bonds36

About N-methyl-1-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]azetidin-3-amine;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine;1-propan-2-yl-4-[(1R)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]piperazine;(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane

N-methyl-1-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]azetidin-3-amine;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine;1-propan-2-yl-4-[(1R)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]piperazine;(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 164967292) has the molecular formula C101H207N17O2 and a molecular weight of 1691.88 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]azetidin-3-amine;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine;1-propan-2-yl-4-[(1R)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]piperazine;(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]azetidin-3-amine;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine;1-propan-2-yl-4-[(1R)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]piperazine;(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID164967292
Molecular FormulaC101H207N17O2
Molecular Weight1691.88 g/mol
Exact Mass1690.66
IUPAC NameN-methyl-1-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]azetidin-3-amine;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine;1-propan-2-yl-4-[(1R)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]piperazine;(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1CCC(CCCN2C[C@H]3C[C@@H]2CN3C(C)C)CC1.CC(C)N1CCC(CCN(C)C2CN(C(C)C)C2)CC1.CC(C)N1CCC(OCCCN2CCN(C(C)C)CC2)CC1.CC(C)N1CCC([C@@H](C)N2CCN(C(C)C)CC2)CC1.CC(C)N1CCN(CCC2CN(C(C)C)C2)CC1.CC(C)OCCCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C19H37N3.C18H37N3O.2C17H35N3.C15H31N3.C15H32N2O/c1-15(2)20-10-7-17(8-11-20)6-5-9-21-13-19-12-18(21)14-22(19)16(3)4;1-16(2)20-9-6-18(7-10-20)22-15-5-8-19-11-13-21(14-12-19)17(3)4;1-14(2)19-10-7-16(8-11-19)6-9-18(5)17-12-20(13-17)15(3)4;1-14(2)18-8-6-17(7-9-18)16(5)20-12-10-19(11-13-20)15(3)4;1-13(2)17-9-7-16(8-10-17)6-5-15-11-18(12-15)14(3)4;1-14(2)17-11-9-16(10-12-17)8-6-5-7-13-18-15(3)4/h15-19H,5-14H2,1-4H3;16-18H,5-15H2,1-4H3;2*14-17H,6-13H2,1-5H3;13-15H,5-12H2,1-4H3;14-15H,5-13H2,1-4H3/t18-,19-;;;16-;;/m1..1../s1
InChIKeyCQNJRTHYUWVSAQ-GMRGQFIBSA-N
XLogP14.74
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds36
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001691.88
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-1-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]azetidin-3-amine;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine;1-propan-2-yl-4-[(1R)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]piperazine;(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]azetidin-3-amine;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine;1-propan-2-yl-4-[(1R)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]piperazine;(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of N-methyl-1-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]azetidin-3-amine;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine;1-propan-2-yl-4-[(1R)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]piperazine;(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane (CID 164967292) is N-methyl-1-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]azetidin-3-amine;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine;1-propan-2-yl-4-[(1R)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]piperazine;(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for N-methyl-1-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]azetidin-3-amine;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine;1-propan-2-yl-4-[(1R)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]piperazine;(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for N-methyl-1-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]azetidin-3-amine;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine;1-propan-2-yl-4-[(1R)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]piperazine;(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane is CC(C)N1CCC(CCCN2C[C@H]3C[C@@H]2CN3C(C)C)CC1.CC(C)N1CCC(CCN(C)C2CN(C(C)C)C2)CC1.CC(C)N1CCC(OCCCN2CCN(C(C)C)CC2)CC1.CC(C)N1CCC([C@@H](C)N2CCN(C(C)C)CC2)CC1.CC(C)N1CCN(CCC2CN(C(C)C)C2)CC1.CC(C)OCCCCCN1CCN(C(C)C)CC1.
What is the InChIKey of N-methyl-1-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]azetidin-3-amine;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine;1-propan-2-yl-4-[(1R)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]piperazine;(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is CQNJRTHYUWVSAQ-GMRGQFIBSA-N. The full InChI is InChI=1S/C19H37N3.C18H37N3O.2C17H35N3.C15H31N3.C15H32N2O/c1-15(2)20-10-7-17(8-11-20)6-5-9-21-13-19-12-18(21)14-22(19)16(3)4;1-16(2)20-9-6-18(7-10-20)22-15-5-8-19-11-13-21(14-12-19)17(3)4;1-14(2)19-10-7-16(8-11-19)6-9-18(5)17-12-20(13-17)15(3)4;1-14(2)18-8-6-17(7-9-18)16(5)20-12-10-19(11-13-20)15(3)4;1-13(2)17-9-7-16(8-10-17)6-5-15-11-18(12-15)14(3)4;1-14(2)17-11-9-16(10-12-17)8-6-5-7-13-18-15(3)4/h15-19H,5-14H2,1-4H3;16-18H,5-15H2,1-4H3;2*14-17H,6-13H2,1-5H3;13-15H,5-12H2,1-4H3;14-15H,5-13H2,1-4H3/t18-,19-;;;16-;;/m1..1../s1.
What are the key properties of N-methyl-1-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]azetidin-3-amine;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine;1-propan-2-yl-4-[(1R)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]piperazine;(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane?
N-methyl-1-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]azetidin-3-amine;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine;1-propan-2-yl-4-[(1R)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]piperazine;(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 1691.88 g/mol, XLogP of 14.74, 36 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]azetidin-3-amine;1-propan-2-yl-4-[2-(1-propan-2-ylazetidin-3-yl)ethyl]piperazine;1-propan-2-yl-4-(5-propan-2-yloxypentyl)piperazine;1-propan-2-yl-4-[(1R)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;1-propan-2-yl-4-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]piperazine;(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 164967292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).