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

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Related Compounds

3-Ethyl-1-methyl-1H-pyrazole
CID 12581083
1-methyl-3-(propan-2-yl)-1H-pyrazole
CID 12251378
4-((1-methyl-1H-pyrazol-5-yl)methyl)piperidine
CID 63961604
1,3-dimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 71695428
1-Methyl-3-t-butylpyrazole
CID 145633
rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropan-1-amine dihydrochloride
CID 129841629
rac-(1R,2R)-2-(1-methyl-1H-pyrazol-3-yl)cyclopropan-1-amine dihydrochloride
CID 129841883
1-(1-Ethyl-1H-pyrazol-3-yl)ethan-1-amine
CID 17024749
1-(1-ethyl-1H-pyrazol-5-yl)ethan-1-amine
CID 19585894
1-(1,3-dimethyl-1H-pyrazol-4-yl)propan-2-amine
CID 19585896
alpha,1-Dimethyl-1H-pyrazole-3-methanamine
CID 19616543
1-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine
CID 19616958

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).