4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine

C14H30N2 — CID 176986857

IUPAC4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine
SMILESCCC(CCCN)CC1CCC(N)C(C)C1
InChIInChI=1S/C14H30N2/c1-3-12(5-4-8-15)10-13-6-7-14(16)11(2)9-13/h11-14H,3-10,15-16H2,1-2H3
InChIKeyFRKQFWDEFGXFCC-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.91
Rot. Bonds6

About 4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine

4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine (PubChem CID 176986857) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine
PubChem CID176986857
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine
SMILESCCC(CCCN)CC1CCC(N)C(C)C1
InChIInChI=1S/C14H30N2/c1-3-12(5-4-8-15)10-13-6-7-14(16)11(2)9-13/h11-14H,3-10,15-16H2,1-2H3
InChIKeyFRKQFWDEFGXFCC-UHFFFAOYSA-N
XLogP2.91
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopropylmethyl)decan-1-amine
CID 151721982
4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine;propane
CID 22137195
4-[3-(4-amino-3-methylcyclohexyl)propyl]-2-methylcyclohexan-1-amine
CID 57090235
4-[[(3S)-4-amino-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
CID 146360825
2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine
CID 174795917
4-(5-amino-2,6-dimethylheptyl)-2-methylcyclohexan-1-amine
CID 130238644
12-ethyltetradecan-1-amine
CID 87456130
1-bromo-4-ethyl-2-(2-ethylhexyl)cyclohexane
CID 63472984
4-[(4-amino-3-methylcyclohexyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 54467205
1,3-bis(2-ethylhexyl)cyclohexane;oxirane
CID 88727038
2,4-dimethylcyclohexan-1-amine;dodecane
CID 174680887
2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine
CID 55187488

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine?
The IUPAC name of 4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine (CID 176986857) is 4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine?
The canonical SMILES for 4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine is CCC(CCCN)CC1CCC(N)C(C)C1.
What is the InChIKey of 4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine?
The InChIKey is FRKQFWDEFGXFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-3-12(5-4-8-15)10-13-6-7-14(16)11(2)9-13/h11-14H,3-10,15-16H2,1-2H3.
What are the key properties of 4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine?
4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-ethylpentyl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 176986857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).