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

C10H19N3 — CID 82878052

IUPAC3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
SMILESCC(C)C(CN)Cc1ccn(C)n1
InChIInChI=1S/C10H19N3/c1-8(2)9(7-11)6-10-4-5-13(3)12-10/h4-5,8-9H,6-7,11H2,1-3H3
InChIKeyICMDLCYKRUIVTO-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.19
Rot. Bonds4

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

3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine (PubChem CID 82878052) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
PubChem CID82878052
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
SMILESCC(C)C(CN)Cc1ccn(C)n1
InChIInChI=1S/C10H19N3/c1-8(2)9(7-11)6-10-4-5-13(3)12-10/h4-5,8-9H,6-7,11H2,1-3H3
InChIKeyICMDLCYKRUIVTO-UHFFFAOYSA-N
XLogP1.19
TPSA43.84 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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778474
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653
4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82868697
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 82877634
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82870753
3-(3-chloro-2-methylbutyl)-1-methylpyrazole
CID 82876102
2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877755
2,3-dimethyl-4-(1-methylpyrazol-3-yl)butanoic acid
CID 82882518
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-ol
CID 82870755
N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882880
2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82872011

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine?
The IUPAC name of 3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine (CID 82878052) is 3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine is CC(C)C(CN)Cc1ccn(C)n1.
What is the InChIKey of 3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine?
The InChIKey is ICMDLCYKRUIVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)9(7-11)6-10-4-5-13(3)12-10/h4-5,8-9H,6-7,11H2,1-3H3.
What are the key properties of 3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine?
3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 82878052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).