4-methylhexan-2-amine

C7H17N — CID 7753

💊View drug profile → methylhexaneamine
IUPAC4-methylhexan-2-amine
SMILESCCC(C)CC(C)N
InChIInChI=1S/C7H17N/c1-4-6(2)5-7(3)8/h6-7H,4-5,8H2,1-3H3
InChIKeyYAHRDLICUYEDAU-UHFFFAOYSA-N
MW115.22 g/mol
LogP1.77
Rot. Bonds3

About 4-methylhexan-2-amine

4-methylhexan-2-amine (PubChem CID 7753) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is 4-methylhexan-2-amine.

Molecular Properties

Compound Name4-methylhexan-2-amine
PubChem CID7753
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC Name4-methylhexan-2-amine
SMILESCCC(C)CC(C)N
InChIInChI=1S/C7H17N/c1-4-6(2)5-7(3)8/h6-7H,4-5,8H2,1-3H3
InChIKeyYAHRDLICUYEDAU-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Octodrine
CID 10982
4-Methylcyclohexylamine
CID 80604
2-Ethylhexylamine
CID 7719
1,3-Dimethylbutylamine
CID 7908
5-Methyl-2-hexylamine
CID 34204
3-Pentanamine, 2,4-dimethyl-
CID 77702
1-Cyclohexylethylamine
CID 110733
1-Cyclohexylpropan-2-amine
CID 115665
(S)-(+)-1-Cyclohexylethylamine
CID 5325951
(-)-1-Cyclohexylethylamine
CID 10997046
3-Methylcyclohexylamine, mixed isomers
CID 110931
2-Methylcyclohexylamine
CID 23432

Frequently Asked Questions

What is the IUPAC name of 4-methylhexan-2-amine?
The IUPAC name of 4-methylhexan-2-amine (CID 7753) is 4-methylhexan-2-amine.
What is the SMILES notation for 4-methylhexan-2-amine?
The canonical SMILES for 4-methylhexan-2-amine is CCC(C)CC(C)N.
What is the InChIKey of 4-methylhexan-2-amine?
The InChIKey is YAHRDLICUYEDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N/c1-4-6(2)5-7(3)8/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 4-methylhexan-2-amine?
4-methylhexan-2-amine has a molecular weight of 115.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhexan-2-amine is sourced from PubChem (CID 7753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).