2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine

C15H27N3 — CID 102641053

IUPAC2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)Cc1ccn(C(C)C)n1
InChIInChI=1S/C15H27N3/c1-7-15(6,11-16-12(2)3)10-14-8-9-18(17-14)13(4)5/h7-9,12-13,16H,1,10-11H2,2-6H3
InChIKeyOKNDBYOEPNYJML-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.20
Rot. Bonds7

About 2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine

2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine (PubChem CID 102641053) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine
PubChem CID102641053
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)Cc1ccn(C(C)C)n1
InChIInChI=1S/C15H27N3/c1-7-15(6,11-16-12(2)3)10-14-8-9-18(17-14)13(4)5/h7-9,12-13,16H,1,10-11H2,2-6H3
InChIKeyOKNDBYOEPNYJML-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-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

Related Compounds

N,2-dimethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine
CID 102640558
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641074
2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine
CID 102640980
2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine
CID 102641068
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83159858
2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64770980
N-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64772125
2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640971
2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640962
N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine
CID 64771673
2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 103699639
2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64772112

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine (CID 102641053) is 2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine is C=CC(C)(CNC(C)C)Cc1ccn(C(C)C)n1.
What is the InChIKey of 2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine?
The InChIKey is OKNDBYOEPNYJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-7-15(6,11-16-12(2)3)10-14-8-9-18(17-14)13(4)5/h7-9,12-13,16H,1,10-11H2,2-6H3.
What are the key properties of 2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine?
2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine is sourced from PubChem (CID 102641053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).