N,N-dimethyl-1-[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine

C25H39N3 — CID 134563691

IUPACN,N-dimethyl-1-[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine
SMILESCC(C)C1CCC(N2CCC(n3cc(CN(C)C)c4ccccc43)CC2)CC1
InChIInChI=1S/C25H39N3/c1-19(2)20-9-11-22(12-10-20)27-15-13-23(14-16-27)28-18-21(17-26(3)4)24-7-5-6-8-25(24)28/h5-8,18-20,22-23H,9-17H2,1-4H3
InChIKeyWVGUPYZLPGESLO-UHFFFAOYSA-N
MW381.61 g/mol
LogP5.55
Rot. Bonds5

About N,N-dimethyl-1-[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine

N,N-dimethyl-1-[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine (PubChem CID 134563691) has the molecular formula C25H39N3 and a molecular weight of 381.61 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine
PubChem CID134563691
Molecular FormulaC25H39N3
Molecular Weight381.61 g/mol
Exact Mass381.31
IUPAC NameN,N-dimethyl-1-[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine
SMILESCC(C)C1CCC(N2CCC(n3cc(CN(C)C)c4ccccc43)CC2)CC1
InChIInChI=1S/C25H39N3/c1-19(2)20-9-11-22(12-10-20)27-15-13-23(14-16-27)28-18-21(17-26(3)4)24-7-5-6-8-25(24)28/h5-8,18-20,22-23H,9-17H2,1-4H3
InChIKeyWVGUPYZLPGESLO-UHFFFAOYSA-N
XLogP5.55
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.61
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine (CID 134563691) is N,N-dimethyl-1-[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine is CC(C)C1CCC(N2CCC(n3cc(CN(C)C)c4ccccc43)CC2)CC1.
What is the InChIKey of N,N-dimethyl-1-[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine?
The InChIKey is WVGUPYZLPGESLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3/c1-19(2)20-9-11-22(12-10-20)27-15-13-23(14-16-27)28-18-21(17-26(3)4)24-7-5-6-8-25(24)28/h5-8,18-20,22-23H,9-17H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine?
N,N-dimethyl-1-[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine has a molecular weight of 381.61 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methanamine is sourced from PubChem (CID 134563691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).