2-(3-aminopropyl)-1,3-dicyclohexylguanidine

C16H32N4 — CID 118456456

IUPAC2-(3-aminopropyl)-1,3-dicyclohexylguanidine
SMILESNCCCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C16H32N4/c17-12-7-13-18-16(19-14-8-3-1-4-9-14)20-15-10-5-2-6-11-15/h14-15H,1-13,17H2,(H2,18,19,20)
InChIKeyUTESGNRXMKVKGG-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.54
Rot. Bonds5

About 2-(3-aminopropyl)-1,3-dicyclohexylguanidine

2-(3-aminopropyl)-1,3-dicyclohexylguanidine (PubChem CID 118456456) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-(3-aminopropyl)-1,3-dicyclohexylguanidine.

Molecular Properties

Compound Name2-(3-aminopropyl)-1,3-dicyclohexylguanidine
PubChem CID118456456
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name2-(3-aminopropyl)-1,3-dicyclohexylguanidine
SMILESNCCCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C16H32N4/c17-12-7-13-18-16(19-14-8-3-1-4-9-14)20-15-10-5-2-6-11-15/h14-15H,1-13,17H2,(H2,18,19,20)
InChIKeyUTESGNRXMKVKGG-UHFFFAOYSA-N
XLogP2.54
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(3-aminopropyl)-1,3-dicyclohexylguanidine 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-(3-aminopropyl)-1,3-dicyclohexylguanidine?
The IUPAC name of 2-(3-aminopropyl)-1,3-dicyclohexylguanidine (CID 118456456) is 2-(3-aminopropyl)-1,3-dicyclohexylguanidine.
What is the SMILES notation for 2-(3-aminopropyl)-1,3-dicyclohexylguanidine?
The canonical SMILES for 2-(3-aminopropyl)-1,3-dicyclohexylguanidine is NCCCN=C(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 2-(3-aminopropyl)-1,3-dicyclohexylguanidine?
The InChIKey is UTESGNRXMKVKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c17-12-7-13-18-16(19-14-8-3-1-4-9-14)20-15-10-5-2-6-11-15/h14-15H,1-13,17H2,(H2,18,19,20).
What are the key properties of 2-(3-aminopropyl)-1,3-dicyclohexylguanidine?
2-(3-aminopropyl)-1,3-dicyclohexylguanidine has a molecular weight of 280.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-1,3-dicyclohexylguanidine is sourced from PubChem (CID 118456456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).