N-propylcyclohexa-2,4-dien-1-amine

C9H15N — CID 129019415

IUPACN-propylcyclohexa-2,4-dien-1-amine
SMILESCCCNC1C=CC=CC1
InChIInChI=1S/C9H15N/c1-2-8-10-9-6-4-3-5-7-9/h3-6,9-10H,2,7-8H2,1H3
InChIKeyKDHLZEVGNRMKQB-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.87
Rot. Bonds3

About N-propylcyclohexa-2,4-dien-1-amine

N-propylcyclohexa-2,4-dien-1-amine (PubChem CID 129019415) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-propylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-propylcyclohexa-2,4-dien-1-amine
PubChem CID129019415
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-propylcyclohexa-2,4-dien-1-amine
SMILESCCCNC1C=CC=CC1
InChIInChI=1S/C9H15N/c1-2-8-10-9-6-4-3-5-7-9/h3-6,9-10H,2,7-8H2,1H3
InChIKeyKDHLZEVGNRMKQB-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-propylcyclohexa-2,4-dien-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-propylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-propylcyclohexa-2,4-dien-1-amine (CID 129019415) is N-propylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-propylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-propylcyclohexa-2,4-dien-1-amine is CCCNC1C=CC=CC1.
What is the InChIKey of N-propylcyclohexa-2,4-dien-1-amine?
The InChIKey is KDHLZEVGNRMKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-8-10-9-6-4-3-5-7-9/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of N-propylcyclohexa-2,4-dien-1-amine?
N-propylcyclohexa-2,4-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 129019415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).