1-(2-ethylcyclohexyl)-3-methylbutan-1-amine

C13H27N — CID 63863455

IUPAC1-(2-ethylcyclohexyl)-3-methylbutan-1-amine
SMILESCCC1CCCCC1C(N)CC(C)C
InChIInChI=1S/C13H27N/c1-4-11-7-5-6-8-12(11)13(14)9-10(2)3/h10-13H,4-9,14H2,1-3H3
InChIKeySPAGTNZTMYQRKN-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.58
Rot. Bonds4

About 1-(2-ethylcyclohexyl)-3-methylbutan-1-amine

1-(2-ethylcyclohexyl)-3-methylbutan-1-amine (PubChem CID 63863455) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-3-methylbutan-1-amine
PubChem CID63863455
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-(2-ethylcyclohexyl)-3-methylbutan-1-amine
SMILESCCC1CCCCC1C(N)CC(C)C
InChIInChI=1S/C13H27N/c1-4-11-7-5-6-8-12(11)13(14)9-10(2)3/h10-13H,4-9,14H2,1-3H3
InChIKeySPAGTNZTMYQRKN-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentyl-(2-ethylcyclohexyl)methanamine
CID 63861297
1-(2-ethylcyclohexyl)heptan-1-amine
CID 115862692
1-(2-ethylcyclohexyl)-2-propoxyethanamine
CID 63862730
2-tert-butylsulfanyl-1-(2-ethylcyclohexyl)ethanamine
CID 65133043
1-(2-ethylcyclohexyl)-2-phenylethanamine
CID 63862721
2-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 16727057
2-(3,5-difluorophenyl)-1-(2-ethylcyclohexyl)ethanamine
CID 63862912
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
1-[(2S)-butan-2-yl]-2-ethylcyclopentane
CID 146934548
1-butan-2-yl-2-ethylcyclopentane
CID 91358263
(2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105151227
1-ethyl-2-pentan-2-ylcycloheptane
CID 123744676

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-3-methylbutan-1-amine?
The IUPAC name of 1-(2-ethylcyclohexyl)-3-methylbutan-1-amine (CID 63863455) is 1-(2-ethylcyclohexyl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-3-methylbutan-1-amine is CCC1CCCCC1C(N)CC(C)C.
What is the InChIKey of 1-(2-ethylcyclohexyl)-3-methylbutan-1-amine?
The InChIKey is SPAGTNZTMYQRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-11-7-5-6-8-12(11)13(14)9-10(2)3/h10-13H,4-9,14H2,1-3H3.
What are the key properties of 1-(2-ethylcyclohexyl)-3-methylbutan-1-amine?
1-(2-ethylcyclohexyl)-3-methylbutan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-3-methylbutan-1-amine is sourced from PubChem (CID 63863455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).