N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine

C19H28N2 — CID 63420547

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(NCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H28N2/c1-14(2)15-7-9-17(10-8-15)20-12-11-16-13-21-19-6-4-3-5-18(16)19/h3-6,13-15,17,20-21H,7-12H2,1-2H3
InChIKeyGWVOGDJWKZZVAQ-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.51
Rot. Bonds5

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

N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63420547) 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]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID63420547
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(NCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C19H28N2/c1-14(2)15-7-9-17(10-8-15)20-12-11-16-13-21-19-6-4-3-5-18(16)19/h3-6,13-15,17,20-21H,7-12H2,1-2H3
InChIKeyGWVOGDJWKZZVAQ-UHFFFAOYSA-N
XLogP4.51
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
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

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 1378371
N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43078792
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]cyclopropanamine
CID 95732551
N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine
CID 43202427
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570
1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
CID 72916795
N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79828848
(1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 11904832
N-[2-(6-methyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 82497315
1-cyclohexyl-N-(1H-indol-3-ylmethyl)ethanamine
CID 62407326
(1R,5S,6R)-N-[2-(1H-indol-3-yl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 100909893
cis-(1R,2S)-N-[2-(1H-indol-3-yl)ethyl]-2-methylsulfonylcyclohexan-1-amine
CID 97235647

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine (CID 63420547) is N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(NCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is GWVOGDJWKZZVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-14(2)15-7-9-17(10-8-15)20-12-11-16-13-21-19-6-4-3-5-18(16)19/h3-6,13-15,17,20-21H,7-12H2,1-2H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
N-[2-(1H-indol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 284.45 g/mol, XLogP of 4.51, 5 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]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63420547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).