N-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine

C31H42N2 — CID 142579561

IUPACN-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine
SMILESCc1ccccc1C(CCNC1CCCCC1)c1cn(CC2CCCCC2)c2ccccc12
InChIInChI=1S/C31H42N2/c1-24-12-8-9-17-27(24)28(20-21-32-26-15-6-3-7-16-26)30-23-33(22-25-13-4-2-5-14-25)31-19-11-10-18-29(30)31/h8-12,17-19,23,25-26,28,32H,2-7,13-16,20-22H2,1H3
InChIKeyYEXGHRJZUXLFEW-UHFFFAOYSA-N
MW442.69 g/mol
LogP7.97
Rot. Bonds8

About N-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine

N-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine (PubChem CID 142579561) has the molecular formula C31H42N2 and a molecular weight of 442.69 g/mol. Its IUPAC name is N-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine
PubChem CID142579561
Molecular FormulaC31H42N2
Molecular Weight442.69 g/mol
Exact Mass442.33
IUPAC NameN-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine
SMILESCc1ccccc1C(CCNC1CCCCC1)c1cn(CC2CCCCC2)c2ccccc12
InChIInChI=1S/C31H42N2/c1-24-12-8-9-17-27(24)28(20-21-32-26-15-6-3-7-16-26)30-23-33(22-25-13-4-2-5-14-25)31-19-11-10-18-29(30)31/h8-12,17-19,23,25-26,28,32H,2-7,13-16,20-22H2,1H3
InChIKeyYEXGHRJZUXLFEW-UHFFFAOYSA-N
XLogP7.97
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.69
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine?
The IUPAC name of N-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine (CID 142579561) is N-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine?
The canonical SMILES for N-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine is Cc1ccccc1C(CCNC1CCCCC1)c1cn(CC2CCCCC2)c2ccccc12.
What is the InChIKey of N-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine?
The InChIKey is YEXGHRJZUXLFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N2/c1-24-12-8-9-17-27(24)28(20-21-32-26-15-6-3-7-16-26)30-23-33(22-25-13-4-2-5-14-25)31-19-11-10-18-29(30)31/h8-12,17-19,23,25-26,28,32H,2-7,13-16,20-22H2,1H3.
What are the key properties of N-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine?
N-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine has a molecular weight of 442.69 g/mol, XLogP of 7.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(2-methylphenyl)propyl]cyclohexanamine is sourced from PubChem (CID 142579561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).