2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine

C15H29N — CID 81014609

IUPAC2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine
SMILESCCC1CCCC(C2CC(C)CCC2N)C1
InChIInChI=1S/C15H29N/c1-3-12-5-4-6-13(10-12)14-9-11(2)7-8-15(14)16/h11-15H,3-10,16H2,1-2H3
InChIKeyJJLWMIDRYJZZFL-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.97
Rot. Bonds2

About 2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine

2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine (PubChem CID 81014609) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine
PubChem CID81014609
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine
SMILESCCC1CCCC(C2CC(C)CCC2N)C1
InChIInChI=1S/C15H29N/c1-3-12-5-4-6-13(10-12)14-9-11(2)7-8-15(14)16/h11-15H,3-10,16H2,1-2H3
InChIKeyJJLWMIDRYJZZFL-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2-(3-ethylcyclohexyl)cyclohexan-1-amine
CID 81014827
1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81025745
N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81032192
3-(3-ethylcyclohexyl)cyclohexan-1-amine
CID 64503181
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
4-ethyl-2-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine
CID 81013167
1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane
CID 58552269
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane
CID 58552621
1-[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]-N-methylmethanamine
CID 81031697
N-[[2-(3-ethylcyclohexyl)cyclohexyl]methyl]propan-1-amine
CID 81026761
2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid
CID 81008287

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine (CID 81014609) is 2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine is CCC1CCCC(C2CC(C)CCC2N)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine?
The InChIKey is JJLWMIDRYJZZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-3-12-5-4-6-13(10-12)14-9-11(2)7-8-15(14)16/h11-15H,3-10,16H2,1-2H3.
What are the key properties of 2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine?
2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 81014609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).