2,4-dimethylpentan-1-amine

C7H17N — CID 18987919

IUPAC2,4-dimethylpentan-1-amine
SMILESCC(C)CC(C)CN
InChIInChI=1S/C7H17N/c1-6(2)4-7(3)5-8/h6-7H,4-5,8H2,1-3H3
InChIKeyVSCUUONOAFHEOJ-UHFFFAOYSA-N
MW115.22 g/mol
LogP1.63
Rot. Bonds3

About 2,4-dimethylpentan-1-amine

2,4-dimethylpentan-1-amine (PubChem CID 18987919) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is 2,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2,4-dimethylpentan-1-amine
PubChem CID18987919
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC Name2,4-dimethylpentan-1-amine
SMILESCC(C)CC(C)CN
InChIInChI=1S/C7H17N/c1-6(2)4-7(3)5-8/h6-7H,4-5,8H2,1-3H3
InChIKeyVSCUUONOAFHEOJ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-1-amine?
The IUPAC name of 2,4-dimethylpentan-1-amine (CID 18987919) is 2,4-dimethylpentan-1-amine.
What is the SMILES notation for 2,4-dimethylpentan-1-amine?
The canonical SMILES for 2,4-dimethylpentan-1-amine is CC(C)CC(C)CN.
What is the InChIKey of 2,4-dimethylpentan-1-amine?
The InChIKey is VSCUUONOAFHEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N/c1-6(2)4-7(3)5-8/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2,4-dimethylpentan-1-amine?
2,4-dimethylpentan-1-amine has a molecular weight of 115.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-1-amine is sourced from PubChem (CID 18987919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).