N-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine

C14H27N — CID 103699452

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCC2CC2(C)C)C1
InChIInChI=1S/C14H27N/c1-4-11-6-5-7-13(8-11)15-10-12-9-14(12,2)3/h11-13,15H,4-10H2,1-3H3
InChIKeyMFEFMUHYBDBSMU-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.59
Rot. Bonds4

About N-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine

N-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine (PubChem CID 103699452) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine
PubChem CID103699452
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCC2CC2(C)C)C1
InChIInChI=1S/C14H27N/c1-4-11-6-5-7-13(8-11)15-10-12-9-14(12,2)3/h11-13,15H,4-10H2,1-3H3
InChIKeyMFEFMUHYBDBSMU-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609637
N-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylcyclohexan-1-amine
CID 116521499
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol
CID 124834672
2-[[(3-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64926892
N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine
CID 64742405
1-[[(3-ethylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 65105949
N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine
CID 64741238
N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428318
N-(2-cyclobutylethyl)-3-ethylcyclopentan-1-amine
CID 115690186
3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 64743190
3-ethyl-N-(2-methylidenebutyl)cyclohexan-1-amine
CID 66044278

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine (CID 103699452) is N-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine is CCC1CCCC(NCC2CC2(C)C)C1.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine?
The InChIKey is MFEFMUHYBDBSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-11-6-5-7-13(8-11)15-10-12-9-14(12,2)3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine?
N-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 103699452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).