3,5-dimethylheptan-4-amine

C9H21N — CID 18757614

IUPAC3,5-dimethylheptan-4-amine
SMILESCCC(C)C(N)C(C)CC
InChIInChI=1S/C9H21N/c1-5-7(3)9(10)8(4)6-2/h7-9H,5-6,10H2,1-4H3
InChIKeyNQCIHPGUHDUFRE-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.41
Rot. Bonds4

About 3,5-dimethylheptan-4-amine

3,5-dimethylheptan-4-amine (PubChem CID 18757614) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is 3,5-dimethylheptan-4-amine.

Molecular Properties

Compound Name3,5-dimethylheptan-4-amine
PubChem CID18757614
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name3,5-dimethylheptan-4-amine
SMILESCCC(C)C(N)C(C)CC
InChIInChI=1S/C9H21N/c1-5-7(3)9(10)8(4)6-2/h7-9H,5-6,10H2,1-4H3
InChIKeyNQCIHPGUHDUFRE-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylheptan-4-amine?
The IUPAC name of 3,5-dimethylheptan-4-amine (CID 18757614) is 3,5-dimethylheptan-4-amine.
What is the SMILES notation for 3,5-dimethylheptan-4-amine?
The canonical SMILES for 3,5-dimethylheptan-4-amine is CCC(C)C(N)C(C)CC.
What is the InChIKey of 3,5-dimethylheptan-4-amine?
The InChIKey is NQCIHPGUHDUFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-5-7(3)9(10)8(4)6-2/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 3,5-dimethylheptan-4-amine?
3,5-dimethylheptan-4-amine has a molecular weight of 143.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylheptan-4-amine is sourced from PubChem (CID 18757614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).