N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine

C19H28N2 — CID 81302824

IUPACN-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H28N2/c1-14-12-19(2,3)10-8-17(14)20-11-9-15-13-21-18-7-5-4-6-16(15)18/h4-7,13-14,17,20-21H,8-12H2,1-3H3
InChIKeyXMVCDOQNIFXCAG-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.51
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine

N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine (PubChem CID 81302824) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
PubChem CID81302824
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H28N2/c1-14-12-19(2,3)10-8-17(14)20-11-9-15-13-21-18-7-5-4-6-16(15)18/h4-7,13-14,17,20-21H,8-12H2,1-3H3
InChIKeyXMVCDOQNIFXCAG-UHFFFAOYSA-N
XLogP4.51
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43078792
N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79828848
2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
CID 81320617
(1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 11904832
cis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine
CID 97235647
(1R,5S,6R)-N-[2-(1H-indol-3-yl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 100909893
(1S,5R,6R)-N-[2-(1H-indol-3-yl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 97043722
N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 63420547
N-[2-(1H-indol-3-yl)ethyl]bicyclo[1.1.1]pentan-1-amine
CID 167072734
N-(1H-indol-3-ylmethyl)-2-methylcyclopropan-1-amine
CID 62396352
2,4,4-trimethyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 81321590
N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 1378371

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine (CID 81302824) is N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine is CC1CC(C)(C)CCC1NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine?
The InChIKey is XMVCDOQNIFXCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-14-12-19(2,3)10-8-17(14)20-11-9-15-13-21-18-7-5-4-6-16(15)18/h4-7,13-14,17,20-21H,8-12H2,1-3H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine?
N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine has a molecular weight of 284.45 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 81302824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).