N-(cyclopropylmethyl)-N-propylpentan-3-amine

C12H25N — CID 20735444

IUPACN-(cyclopropylmethyl)-N-propylpentan-3-amine
SMILESCCCN(CC1CC1)C(CC)CC
InChIInChI=1S/C12H25N/c1-4-9-13(10-11-7-8-11)12(5-2)6-3/h11-12H,4-10H2,1-3H3
InChIKeyBCCUTERTFVQUAJ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds7

About N-(cyclopropylmethyl)-N-propylpentan-3-amine

N-(cyclopropylmethyl)-N-propylpentan-3-amine (PubChem CID 20735444) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-propylpentan-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-propylpentan-3-amine
PubChem CID20735444
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-(cyclopropylmethyl)-N-propylpentan-3-amine
SMILESCCCN(CC1CC1)C(CC)CC
InChIInChI=1S/C12H25N/c1-4-9-13(10-11-7-8-11)12(5-2)6-3/h11-12H,4-10H2,1-3H3
InChIKeyBCCUTERTFVQUAJ-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(cyclopropylmethyl)-N-propylpentan-3-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-(cyclopropylmethyl)-N-propylpentan-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-propylpentan-3-amine (CID 20735444) is N-(cyclopropylmethyl)-N-propylpentan-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-propylpentan-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-propylpentan-3-amine is CCCN(CC1CC1)C(CC)CC.
What is the InChIKey of N-(cyclopropylmethyl)-N-propylpentan-3-amine?
The InChIKey is BCCUTERTFVQUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-9-13(10-11-7-8-11)12(5-2)6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-propylpentan-3-amine?
N-(cyclopropylmethyl)-N-propylpentan-3-amine has a molecular weight of 183.34 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-propylpentan-3-amine is sourced from PubChem (CID 20735444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).