3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine

C10H19N3 — CID 78920945

IUPAC3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
SMILESCC(C)C(C)NCc1ccn(C)n1
InChIInChI=1S/C10H19N3/c1-8(2)9(3)11-7-10-5-6-13(4)12-10/h5-6,8-9,11H,7H2,1-4H3
InChIKeyXXSMWUYEHXMJGF-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds4

About 3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine

3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine (PubChem CID 78920945) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
PubChem CID78920945
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
SMILESCC(C)C(C)NCc1ccn(C)n1
InChIInChI=1S/C10H19N3/c1-8(2)9(3)11-7-10-5-6-13(4)12-10/h5-6,8-9,11H,7H2,1-4H3
InChIKeyXXSMWUYEHXMJGF-UHFFFAOYSA-N
XLogP1.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol
CID 82882501
1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 107859736
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine
CID 78920997
N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639713
3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
CID 82869167
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82871909
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867029
1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 113230700
(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867137
N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899941
N-[(1-methylpyrazol-3-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 78998285

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine?
The IUPAC name of 3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine (CID 78920945) is 3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine?
The canonical SMILES for 3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine is CC(C)C(C)NCc1ccn(C)n1.
What is the InChIKey of 3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine?
The InChIKey is XXSMWUYEHXMJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)9(3)11-7-10-5-6-13(4)12-10/h5-6,8-9,11H,7H2,1-4H3.
What are the key properties of 3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine?
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine is sourced from PubChem (CID 78920945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).