N,5-dimethylheptan-1-amine

C9H21N — CID 18997964

IUPACN,5-dimethylheptan-1-amine
SMILESCCC(C)CCCCNC
InChIInChI=1S/C9H21N/c1-4-9(2)7-5-6-8-10-3/h9-10H,4-8H2,1-3H3
InChIKeyANWKRRYMOQCUSI-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.42
Rot. Bonds6

About N,5-dimethylheptan-1-amine

N,5-dimethylheptan-1-amine (PubChem CID 18997964) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is N,5-dimethylheptan-1-amine.

Molecular Properties

Compound NameN,5-dimethylheptan-1-amine
PubChem CID18997964
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC NameN,5-dimethylheptan-1-amine
SMILESCCC(C)CCCCNC
InChIInChI=1S/C9H21N/c1-4-9(2)7-5-6-8-10-3/h9-10H,4-8H2,1-3H3
InChIKeyANWKRRYMOQCUSI-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,5-dimethylheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,5-dimethylheptan-1-amine?
The IUPAC name of N,5-dimethylheptan-1-amine (CID 18997964) is N,5-dimethylheptan-1-amine.
What is the SMILES notation for N,5-dimethylheptan-1-amine?
The canonical SMILES for N,5-dimethylheptan-1-amine is CCC(C)CCCCNC.
What is the InChIKey of N,5-dimethylheptan-1-amine?
The InChIKey is ANWKRRYMOQCUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-4-9(2)7-5-6-8-10-3/h9-10H,4-8H2,1-3H3.
What are the key properties of N,5-dimethylheptan-1-amine?
N,5-dimethylheptan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethylheptan-1-amine is sourced from PubChem (CID 18997964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).