2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine

C12H23N3 — CID 28610096

IUPAC2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine
SMILESCCC(C)(C)NCc1c(C)nn(C)c1C
InChIInChI=1S/C12H23N3/c1-7-12(4,5)13-8-11-9(2)14-15(6)10(11)3/h13H,7-8H2,1-6H3
InChIKeyQESPNRKGEIRAFG-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.32
Rot. Bonds4

About 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine

2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine (PubChem CID 28610096) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine
PubChem CID28610096
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine
SMILESCCC(C)(C)NCc1c(C)nn(C)c1C
InChIInChI=1S/C12H23N3/c1-7-12(4,5)13-8-11-9(2)14-15(6)10(11)3/h13H,7-8H2,1-6H3
InChIKeyQESPNRKGEIRAFG-UHFFFAOYSA-N
XLogP2.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-1-amine
CID 112727542
4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole
CID 59743946
ethane;4-ethyl-1,3,5-trimethylpyrazole
CID 143917345
3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236452
3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 113243769
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]octan-1-amine
CID 78911426
2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid
CID 113436555
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine
CID 63967076
3-ethyl-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 103909181
5-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 79556372
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]but-2-yn-1-amine
CID 79006322
2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 78958688

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine (CID 28610096) is 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine is CCC(C)(C)NCc1c(C)nn(C)c1C.
What is the InChIKey of 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine?
The InChIKey is QESPNRKGEIRAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-7-12(4,5)13-8-11-9(2)14-15(6)10(11)3/h13H,7-8H2,1-6H3.
What are the key properties of 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine?
2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine is sourced from PubChem (CID 28610096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).