3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine

C10H19N3 — CID 43085339

IUPAC3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
SMILESCC(C)C(C)NCc1cnn(C)c1
InChIInChI=1S/C10H19N3/c1-8(2)9(3)11-5-10-6-12-13(4)7-10/h6-9,11H,5H2,1-4H3
InChIKeyFLJKHUCNTUSRMN-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds4

About 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine

3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine (PubChem CID 43085339) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
PubChem CID43085339
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
SMILESCC(C)C(C)NCc1cnn(C)c1
InChIInChI=1S/C10H19N3/c1-8(2)9(3)11-5-10-6-12-13(4)7-10/h6-9,11H,5H2,1-4H3
InChIKeyFLJKHUCNTUSRMN-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-4-yl)methylamino]-2-methylsulfanylbutan-1-ol
CID 111440339
4-chloro-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 83187892
1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 103271036
1-(4-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43225777
(1S)-1-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81387813
4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine
CID 61350220
(1S)-1-cycloheptyl-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81391425
N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine
CID 107234285
N-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 61349253
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol
CID 78943311
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81402958

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine?
The IUPAC name of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine (CID 43085339) is 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine?
The canonical SMILES for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine is CC(C)C(C)NCc1cnn(C)c1.
What is the InChIKey of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine?
The InChIKey is FLJKHUCNTUSRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)9(3)11-5-10-6-12-13(4)7-10/h6-9,11H,5H2,1-4H3.
What are the key properties of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine?
3-methyl-N-[(1-methylpyrazol-4-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-4-yl)methyl]butan-2-amine is sourced from PubChem (CID 43085339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).