2,2-diethyl-4-methyl-N-propylpentan-1-amine

C13H29N — CID 62724440

IUPAC2,2-diethyl-4-methyl-N-propylpentan-1-amine
SMILESCCCNCC(CC)(CC)CC(C)C
InChIInChI=1S/C13H29N/c1-6-9-14-11-13(7-2,8-3)10-12(4)5/h12,14H,6-11H2,1-5H3
InChIKeyJSOTWPHNZGRKNZ-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds8

About 2,2-diethyl-4-methyl-N-propylpentan-1-amine

2,2-diethyl-4-methyl-N-propylpentan-1-amine (PubChem CID 62724440) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 2,2-diethyl-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-4-methyl-N-propylpentan-1-amine
PubChem CID62724440
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name2,2-diethyl-4-methyl-N-propylpentan-1-amine
SMILESCCCNCC(CC)(CC)CC(C)C
InChIInChI=1S/C13H29N/c1-6-9-14-11-13(7-2,8-3)10-12(4)5/h12,14H,6-11H2,1-5H3
InChIKeyJSOTWPHNZGRKNZ-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-diethyl-4-methyl-N-propylpentan-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 2,2-diethyl-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 2,2-diethyl-4-methyl-N-propylpentan-1-amine (CID 62724440) is 2,2-diethyl-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 2,2-diethyl-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 2,2-diethyl-4-methyl-N-propylpentan-1-amine is CCCNCC(CC)(CC)CC(C)C.
What is the InChIKey of 2,2-diethyl-4-methyl-N-propylpentan-1-amine?
The InChIKey is JSOTWPHNZGRKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-9-14-11-13(7-2,8-3)10-12(4)5/h12,14H,6-11H2,1-5H3.
What are the key properties of 2,2-diethyl-4-methyl-N-propylpentan-1-amine?
2,2-diethyl-4-methyl-N-propylpentan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 62724440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).