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

C9H17N3 — CID 81014461

IUPAC3-methyl-3-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCn1nccc1C(C)(C)CCN
InChIInChI=1S/C9H17N3/c1-9(2,5-6-10)8-4-7-11-12(8)3/h4,7H,5-6,10H2,1-3H3
InChIKeySZNUJQIVBDFRPH-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.05
Rot. Bonds3

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

3-methyl-3-(2-methylpyrazol-3-yl)butan-1-amine (PubChem CID 81014461) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-methyl-3-(2-methylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(2-methylpyrazol-3-yl)butan-1-amine
PubChem CID81014461
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-methyl-3-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCn1nccc1C(C)(C)CCN
InChIInChI=1S/C9H17N3/c1-9(2,5-6-10)8-4-7-11-12(8)3/h4,7H,5-6,10H2,1-3H3
InChIKeySZNUJQIVBDFRPH-UHFFFAOYSA-N
XLogP1.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-(2-methylpyrazol-3-yl)propan-2-ol
CID 66039354
2-fluoro-3,3-dimethyl-2-(2-methylpyrazol-3-yl)butan-1-amine
CID 112566609
5-(2-iodopropan-2-yl)-1-methylpyrazole
CID 129132491
6-amino-4,4-dimethyl-1-(2-methylpyrazol-3-yl)hexan-1-one
CID 116574723
1-(methylamino)-2-(2-methylpyrazol-3-yl)propan-2-ol
CID 66036986
2-(2-methylpyrazol-3-yl)heptan-2-ol
CID 80558571
N'-(2-methylpyrazol-3-yl)propane-1,3-diamine
CID 63963092
2-methyl-2-(2-methylpyrazol-3-yl)propanoic acid
CID 63963504
2-methyl-2-(2-methylpyrazol-3-yl)butanoic acid
CID 83828501
3-(aminomethyl)-3-methyl-5-(2-methylpyrazol-3-yl)pentan-2-ol
CID 103017437
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
N-[(2-methylpyrazol-3-yl)methyl]pyridin-4-amine
CID 63302069

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylpyrazol-3-yl)butan-1-amine?
The IUPAC name of 3-methyl-3-(2-methylpyrazol-3-yl)butan-1-amine (CID 81014461) is 3-methyl-3-(2-methylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-3-(2-methylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for 3-methyl-3-(2-methylpyrazol-3-yl)butan-1-amine is Cn1nccc1C(C)(C)CCN.
What is the InChIKey of 3-methyl-3-(2-methylpyrazol-3-yl)butan-1-amine?
The InChIKey is SZNUJQIVBDFRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-9(2,5-6-10)8-4-7-11-12(8)3/h4,7H,5-6,10H2,1-3H3.
What are the key properties of 3-methyl-3-(2-methylpyrazol-3-yl)butan-1-amine?
3-methyl-3-(2-methylpyrazol-3-yl)butan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 81014461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).