3-ethyl-2,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine

C15H31N — CID 166712350

IUPAC3-ethyl-2,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine
SMILESCCC1C(C)CCCC(NCC(C)C)C1C
InChIInChI=1S/C15H31N/c1-6-14-12(4)8-7-9-15(13(14)5)16-10-11(2)3/h11-16H,6-10H2,1-5H3
InChIKeyLJCFXLAADLLZDK-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.08
Rot. Bonds4

About 3-ethyl-2,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine

3-ethyl-2,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine (PubChem CID 166712350) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name3-ethyl-2,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine
PubChem CID166712350
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name3-ethyl-2,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine
SMILESCCC1C(C)CCCC(NCC(C)C)C1C
InChIInChI=1S/C15H31N/c1-6-14-12(4)8-7-9-15(13(14)5)16-10-11(2)3/h11-16H,6-10H2,1-5H3
InChIKeyLJCFXLAADLLZDK-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499
(2R)-1-[[(1R,2R)-2-methylcyclopentyl]amino]propan-2-ol
CID 95377482
(2S)-1-[(2-methylcyclopentyl)amino]propan-2-ol
CID 103884041
2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine
CID 115688826
1,3-dimethyl-2-(2-methylpropyl)cyclohexane
CID 91143805
N-(2-ethylhexyl)-2-methylcyclopentan-1-amine
CID 63492296
2-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 63277629
cis-(1S,2R)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine
CID 176752788
N-(2-methylpropyl)-2-methylsulfanylcyclopentan-1-amine
CID 103880670
2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 43222835
1-[(2-methylcyclopentyl)amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 55172046
trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
CID 71351363

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine?
The IUPAC name of 3-ethyl-2,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine (CID 166712350) is 3-ethyl-2,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine.
What is the SMILES notation for 3-ethyl-2,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine?
The canonical SMILES for 3-ethyl-2,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine is CCC1C(C)CCCC(NCC(C)C)C1C.
What is the InChIKey of 3-ethyl-2,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine?
The InChIKey is LJCFXLAADLLZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-14-12(4)8-7-9-15(13(14)5)16-10-11(2)3/h11-16H,6-10H2,1-5H3.
What are the key properties of 3-ethyl-2,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine?
3-ethyl-2,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine is sourced from PubChem (CID 166712350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).