1-[4-[(4-aminocyclohexyl)methylamino]butyl]-N-methylpyrazol-3-amine

C15H29N5 — CID 59231271

IUPAC1-[4-[(4-aminocyclohexyl)methylamino]butyl]-N-methylpyrazol-3-amine
SMILESCNc1ccn(CCCCNCC2CCC(N)CC2)n1
InChIInChI=1S/C15H29N5/c1-17-15-8-11-20(19-15)10-3-2-9-18-12-13-4-6-14(16)7-5-13/h8,11,13-14,18H,2-7,9-10,12,16H2,1H3,(H,17,19)
InChIKeyGSNWWQXDPFVZQW-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.81
Rot. Bonds8

About 1-[4-[(4-aminocyclohexyl)methylamino]butyl]-N-methylpyrazol-3-amine

1-[4-[(4-aminocyclohexyl)methylamino]butyl]-N-methylpyrazol-3-amine (PubChem CID 59231271) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[4-[(4-aminocyclohexyl)methylamino]butyl]-N-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[4-[(4-aminocyclohexyl)methylamino]butyl]-N-methylpyrazol-3-amine
PubChem CID59231271
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name1-[4-[(4-aminocyclohexyl)methylamino]butyl]-N-methylpyrazol-3-amine
SMILESCNc1ccn(CCCCNCC2CCC(N)CC2)n1
InChIInChI=1S/C15H29N5/c1-17-15-8-11-20(19-15)10-3-2-9-18-12-13-4-6-14(16)7-5-13/h8,11,13-14,18H,2-7,9-10,12,16H2,1H3,(H,17,19)
InChIKeyGSNWWQXDPFVZQW-UHFFFAOYSA-N
XLogP1.81
TPSA67.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[(4-aminocyclohexyl)methylamino]butyl]-N-methylpyrazol-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 1-[4-[(4-aminocyclohexyl)methylamino]butyl]-N-methylpyrazol-3-amine?
The IUPAC name of 1-[4-[(4-aminocyclohexyl)methylamino]butyl]-N-methylpyrazol-3-amine (CID 59231271) is 1-[4-[(4-aminocyclohexyl)methylamino]butyl]-N-methylpyrazol-3-amine.
What is the SMILES notation for 1-[4-[(4-aminocyclohexyl)methylamino]butyl]-N-methylpyrazol-3-amine?
The canonical SMILES for 1-[4-[(4-aminocyclohexyl)methylamino]butyl]-N-methylpyrazol-3-amine is CNc1ccn(CCCCNCC2CCC(N)CC2)n1.
What is the InChIKey of 1-[4-[(4-aminocyclohexyl)methylamino]butyl]-N-methylpyrazol-3-amine?
The InChIKey is GSNWWQXDPFVZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-17-15-8-11-20(19-15)10-3-2-9-18-12-13-4-6-14(16)7-5-13/h8,11,13-14,18H,2-7,9-10,12,16H2,1H3,(H,17,19).
What are the key properties of 1-[4-[(4-aminocyclohexyl)methylamino]butyl]-N-methylpyrazol-3-amine?
1-[4-[(4-aminocyclohexyl)methylamino]butyl]-N-methylpyrazol-3-amine has a molecular weight of 279.43 g/mol, XLogP of 1.81, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-aminocyclohexyl)methylamino]butyl]-N-methylpyrazol-3-amine is sourced from PubChem (CID 59231271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).