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

C9H18N4 — CID 130603691

IUPAC2,3-dimethyl-1-(1-methyltriazol-4-yl)butan-1-amine
SMILESCC(C)C(C)C(N)c1cn(C)nn1
InChIInChI=1S/C9H18N4/c1-6(2)7(3)9(10)8-5-13(4)12-11-8/h5-7,9H,10H2,1-4H3
InChIKeyGWTRCCZNSDLBJL-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.11
Rot. Bonds3

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

2,3-dimethyl-1-(1-methyltriazol-4-yl)butan-1-amine (PubChem CID 130603691) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2,3-dimethyl-1-(1-methyltriazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(1-methyltriazol-4-yl)butan-1-amine
PubChem CID130603691
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2,3-dimethyl-1-(1-methyltriazol-4-yl)butan-1-amine
SMILESCC(C)C(C)C(N)c1cn(C)nn1
InChIInChI=1S/C9H18N4/c1-6(2)7(3)9(10)8-5-13(4)12-11-8/h5-7,9H,10H2,1-4H3
InChIKeyGWTRCCZNSDLBJL-UHFFFAOYSA-N
XLogP1.11
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(1-methyltriazol-4-yl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-1-(1-methyltriazol-4-yl)butan-1-amine (CID 130603691) is 2,3-dimethyl-1-(1-methyltriazol-4-yl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-1-(1-methyltriazol-4-yl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-1-(1-methyltriazol-4-yl)butan-1-amine is CC(C)C(C)C(N)c1cn(C)nn1.
What is the InChIKey of 2,3-dimethyl-1-(1-methyltriazol-4-yl)butan-1-amine?
The InChIKey is GWTRCCZNSDLBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-6(2)7(3)9(10)8-5-13(4)12-11-8/h5-7,9H,10H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-(1-methyltriazol-4-yl)butan-1-amine?
2,3-dimethyl-1-(1-methyltriazol-4-yl)butan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(1-methyltriazol-4-yl)butan-1-amine is sourced from PubChem (CID 130603691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).