3-cyclobutyl-N-ethyl-4,4-dimethylcyclohexan-1-amine

C14H27N — CID 165492072

IUPAC3-cyclobutyl-N-ethyl-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)C(C2CCC2)C1
InChIInChI=1S/C14H27N/c1-4-15-12-8-9-14(2,3)13(10-12)11-6-5-7-11/h11-13,15H,4-10H2,1-3H3
InChIKeyOFXHOOWHARWGML-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.59
Rot. Bonds3

About 3-cyclobutyl-N-ethyl-4,4-dimethylcyclohexan-1-amine

3-cyclobutyl-N-ethyl-4,4-dimethylcyclohexan-1-amine (PubChem CID 165492072) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 3-cyclobutyl-N-ethyl-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclobutyl-N-ethyl-4,4-dimethylcyclohexan-1-amine
PubChem CID165492072
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name3-cyclobutyl-N-ethyl-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)C(C2CCC2)C1
InChIInChI=1S/C14H27N/c1-4-15-12-8-9-14(2,3)13(10-12)11-6-5-7-11/h11-13,15H,4-10H2,1-3H3
InChIKeyOFXHOOWHARWGML-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 167179387
5-(2-cyclopentylpyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79859986
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 113335655
N-ethyl-3-methyl-3-(3-methylcyclohexyl)cyclopentan-1-amine
CID 116539474
N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
CID 79923972
3-N-cyclopentyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79644118
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79835833
3-N-cyclohexyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79642460
(3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine
CID 171100893
(8S,9S,10S,13S,14S)-N-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
CID 22214754
N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-ethyl-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 3-cyclobutyl-N-ethyl-4,4-dimethylcyclohexan-1-amine (CID 165492072) is 3-cyclobutyl-N-ethyl-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 3-cyclobutyl-N-ethyl-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 3-cyclobutyl-N-ethyl-4,4-dimethylcyclohexan-1-amine is CCNC1CCC(C)(C)C(C2CCC2)C1.
What is the InChIKey of 3-cyclobutyl-N-ethyl-4,4-dimethylcyclohexan-1-amine?
The InChIKey is OFXHOOWHARWGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-15-12-8-9-14(2,3)13(10-12)11-6-5-7-11/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 3-cyclobutyl-N-ethyl-4,4-dimethylcyclohexan-1-amine?
3-cyclobutyl-N-ethyl-4,4-dimethylcyclohexan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-ethyl-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 165492072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).