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

C10H19N3 — CID 43435289

IUPAC3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
SMILESCC(C)CCNCc1ccnn1C
InChIInChI=1S/C10H19N3/c1-9(2)4-6-11-8-10-5-7-12-13(10)3/h5,7,9,11H,4,6,8H2,1-3H3
InChIKeySJOFFSXJROBNTC-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.56
Rot. Bonds5

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

3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine (PubChem CID 43435289) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
PubChem CID43435289
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
SMILESCC(C)CCNCc1ccnn1C
InChIInChI=1S/C10H19N3/c1-9(2)4-6-11-8-10-5-7-12-13(10)3/h5,7,9,11H,4,6,8H2,1-3H3
InChIKeySJOFFSXJROBNTC-UHFFFAOYSA-N
XLogP1.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 43663377
1-N,1-N,3-trimethyl-2-N-[(2-methylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 61476932
2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001881
N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923033
N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 43663207
4-[(2-methylpyrazol-3-yl)methylamino]butanamide
CID 60863582
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 19626583
2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663111
N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine
CID 106723723
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19618976
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663124
2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 104562263

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine (CID 43435289) is 3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine is CC(C)CCNCc1ccnn1C.
What is the InChIKey of 3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine?
The InChIKey is SJOFFSXJROBNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(2)4-6-11-8-10-5-7-12-13(10)3/h5,7,9,11H,4,6,8H2,1-3H3.
What are the key properties of 3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine?
3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 43435289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).