2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine

C15H30N2 — CID 113441638

IUPAC2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine
SMILESCCC1CCCCCN1C1CC(C)CCC1N
InChIInChI=1S/C15H30N2/c1-3-13-7-5-4-6-10-17(13)15-11-12(2)8-9-14(15)16/h12-15H,3-11,16H2,1-2H3
InChIKeyWOZCXRPSGPQMMU-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.16
Rot. Bonds2

About 2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine

2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine (PubChem CID 113441638) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine
PubChem CID113441638
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine
SMILESCCC1CCCCCN1C1CC(C)CCC1N
InChIInChI=1S/C15H30N2/c1-3-13-7-5-4-6-10-17(13)15-11-12(2)8-9-14(15)16/h12-15H,3-11,16H2,1-2H3
InChIKeyWOZCXRPSGPQMMU-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylpiperidin-1-yl)cyclododecan-1-amine
CID 43266440
2-(2-ethylpiperidin-1-yl)cyclohexan-1-amine
CID 43266460
2-(2-ethylazepan-1-yl)-3,5-dimethylcyclohexan-1-amine
CID 113441643
4-propyl-2-(2-propylpiperidin-1-yl)cyclohexan-1-amine
CID 83052555
2-(azocan-1-yl)-4-methylcyclohexan-1-amine
CID 43211884
[1-(2,5-dimethylcyclohexyl)piperidin-2-yl]methanamine
CID 64756399
2-(2-ethylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-amine
CID 64751329
trans-(1S,2S)-2-(2-ethylpiperidin-1-yl)cyclohexan-1-ol
CID 102731877
2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine
CID 113441646
N-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine
CID 104692327
2-(2-ethylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 104689600
[1-[(2-amino-5-methylcyclohexyl)methyl]piperidin-2-yl]methanol
CID 62609486

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine (CID 113441638) is 2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine is CCC1CCCCCN1C1CC(C)CCC1N.
What is the InChIKey of 2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine?
The InChIKey is WOZCXRPSGPQMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-13-7-5-4-6-10-17(13)15-11-12(2)8-9-14(15)16/h12-15H,3-11,16H2,1-2H3.
What are the key properties of 2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine?
2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 113441638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).