N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine

C29H32N2 — CID 44513166

IUPACN,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine
SMILESCc1c(C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccccc12
InChIInChI=1S/C29H32N2/c1-22-25-16-10-11-17-26(25)30-27(22)28(23-12-6-4-7-13-23)18-20-29(21-19-28,31(2)3)24-14-8-5-9-15-24/h4-17,30H,18-21H2,1-3H3
InChIKeyDBIAXUQJDZDFDY-UHFFFAOYSA-N
MW408.59 g/mol
LogP6.79
Rot. Bonds4

About N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine

N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine (PubChem CID 44513166) has the molecular formula C29H32N2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine
PubChem CID44513166
Molecular FormulaC29H32N2
Molecular Weight408.59 g/mol
Exact Mass408.26
IUPAC NameN,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine
SMILESCc1c(C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccccc12
InChIInChI=1S/C29H32N2/c1-22-25-16-10-11-17-26(25)30-27(22)28(23-12-6-4-7-13-23)18-20-29(21-19-28,31(2)3)24-14-8-5-9-15-24/h4-17,30H,18-21H2,1-3H3
InChIKeyDBIAXUQJDZDFDY-UHFFFAOYSA-N
XLogP6.79
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine (CID 44513166) is N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine is Cc1c(C2(c3ccccc3)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccccc12.
What is the InChIKey of N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine?
The InChIKey is DBIAXUQJDZDFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2/c1-22-25-16-10-11-17-26(25)30-27(22)28(23-12-6-4-7-13-23)18-20-29(21-19-28,31(2)3)24-14-8-5-9-15-24/h4-17,30H,18-21H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine?
N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine has a molecular weight of 408.59 g/mol, XLogP of 6.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)-1,4-diphenylcyclohexan-1-amine is sourced from PubChem (CID 44513166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).