N,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine

C10H19N3 — CID 62449306

IUPACN,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine
SMILESCNCC(C(C)C)n1cc(C)cn1
InChIInChI=1S/C10H19N3/c1-8(2)10(6-11-4)13-7-9(3)5-12-13/h5,7-8,10-11H,6H2,1-4H3
InChIKeyXTEHGLCTBZYXMO-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.61
Rot. Bonds4

About N,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine

N,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine (PubChem CID 62449306) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine
PubChem CID62449306
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine
SMILESCNCC(C(C)C)n1cc(C)cn1
InChIInChI=1S/C10H19N3/c1-8(2)10(6-11-4)13-7-9(3)5-12-13/h5,7-8,10-11H,6H2,1-4H3
InChIKeyXTEHGLCTBZYXMO-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine?
The IUPAC name of N,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine (CID 62449306) is N,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine is CNCC(C(C)C)n1cc(C)cn1.
What is the InChIKey of N,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine?
The InChIKey is XTEHGLCTBZYXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)10(6-11-4)13-7-9(3)5-12-13/h5,7-8,10-11H,6H2,1-4H3.
What are the key properties of N,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine?
N,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(4-methylpyrazol-1-yl)butan-1-amine is sourced from PubChem (CID 62449306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).