3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine

C12H23N3 — CID 115612293

IUPAC3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine
SMILESCC(C)(C)CCNCCCn1cccn1
InChIInChI=1S/C12H23N3/c1-12(2,3)6-9-13-7-4-10-15-11-5-8-14-15/h5,8,11,13H,4,6-7,9-10H2,1-3H3
InChIKeySHFPEPXPBUCBIN-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.30
Rot. Bonds6

About 3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine

3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine (PubChem CID 115612293) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine
PubChem CID115612293
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine
SMILESCC(C)(C)CCNCCCn1cccn1
InChIInChI=1S/C12H23N3/c1-12(2,3)6-9-13-7-4-10-15-11-5-8-14-15/h5,8,11,13H,4,6-7,9-10H2,1-3H3
InChIKeySHFPEPXPBUCBIN-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-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 3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine (CID 115612293) is 3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine is CC(C)(C)CCNCCCn1cccn1.
What is the InChIKey of 3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine?
The InChIKey is SHFPEPXPBUCBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(2,3)6-9-13-7-4-10-15-11-5-8-14-15/h5,8,11,13H,4,6-7,9-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine?
3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine is sourced from PubChem (CID 115612293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).