5-amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol

C14H26N2O — CID 70974372

IUPAC5-amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol
SMILESCCCC1=CCC(NC(O)CCCCN)C=C1
InChIInChI=1S/C14H26N2O/c1-2-5-12-7-9-13(10-8-12)16-14(17)6-3-4-11-15/h7-9,13-14,16-17H,2-6,10-11,15H2,1H3
InChIKeyUUGRKMWLBGFJKY-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.08
Rot. Bonds8

About 5-amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol

5-amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol (PubChem CID 70974372) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol
PubChem CID70974372
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name5-amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol
SMILESCCCC1=CCC(NC(O)CCCCN)C=C1
InChIInChI=1S/C14H26N2O/c1-2-5-12-7-9-13(10-8-12)16-14(17)6-3-4-11-15/h7-9,13-14,16-17H,2-6,10-11,15H2,1H3
InChIKeyUUGRKMWLBGFJKY-UHFFFAOYSA-N
XLogP2.08
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol 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 5-amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol?
The IUPAC name of 5-amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol (CID 70974372) is 5-amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol?
The canonical SMILES for 5-amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol is CCCC1=CCC(NC(O)CCCCN)C=C1.
What is the InChIKey of 5-amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol?
The InChIKey is UUGRKMWLBGFJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-5-12-7-9-13(10-8-12)16-14(17)6-3-4-11-15/h7-9,13-14,16-17H,2-6,10-11,15H2,1H3.
What are the key properties of 5-amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol?
5-amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(4-propylcyclohexa-2,4-dien-1-yl)amino]pentan-1-ol is sourced from PubChem (CID 70974372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).