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

C18H26N2 — CID 79828848

IUPACN-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H26N2/c1-18(2)11-6-5-9-17(18)19-12-10-14-13-20-16-8-4-3-7-15(14)16/h3-4,7-8,13,17,19-20H,5-6,9-12H2,1-2H3
InChIKeyHVSSPASGTHJNFK-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.27
Rot. Bonds4

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

N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79828848) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79828848
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H26N2/c1-18(2)11-6-5-9-17(18)19-12-10-14-13-20-16-8-4-3-7-15(14)16/h3-4,7-8,13,17,19-20H,5-6,9-12H2,1-2H3
InChIKeyHVSSPASGTHJNFK-UHFFFAOYSA-N
XLogP4.27
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79828913
N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43078792
N-[2-(1H-indol-3-yl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81302824
(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
(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-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine
CID 61221927
2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632947
N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 1378371
2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546197
(1R,2R,4S)-N-[2-(1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 11904832

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine (CID 79828848) is N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is HVSSPASGTHJNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-18(2)11-6-5-9-17(18)19-12-10-14-13-20-16-8-4-3-7-15(14)16/h3-4,7-8,13,17,19-20H,5-6,9-12H2,1-2H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine?
N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 4.27, 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]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79828848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).