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

C9H18N4 — CID 82407574

IUPAC3,3-dimethyl-1-(1-methyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCn1cnc(C(N)CC(C)(C)C)n1
InChIInChI=1S/C9H18N4/c1-9(2,3)5-7(10)8-11-6-13(4)12-8/h6-7H,5,10H2,1-4H3
InChIKeyRXDYBBXFPKQYAV-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.25
Rot. Bonds2

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

3,3-dimethyl-1-(1-methyl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 82407574) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-methyl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-methyl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID82407574
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name3,3-dimethyl-1-(1-methyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCn1cnc(C(N)CC(C)(C)C)n1
InChIInChI=1S/C9H18N4/c1-9(2,3)5-7(10)8-11-6-13(4)12-8/h6-7H,5,10H2,1-4H3
InChIKeyRXDYBBXFPKQYAV-UHFFFAOYSA-N
XLogP1.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-1-(1-methyl-1,2,4-triazol-3-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-1-(1-methyl-1,2,4-triazol-3-yl)butan-1-amine (CID 82407574) is 3,3-dimethyl-1-(1-methyl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-(1-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-(1-methyl-1,2,4-triazol-3-yl)butan-1-amine is Cn1cnc(C(N)CC(C)(C)C)n1.
What is the InChIKey of 3,3-dimethyl-1-(1-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is RXDYBBXFPKQYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-9(2,3)5-7(10)8-11-6-13(4)12-8/h6-7H,5,10H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(1-methyl-1,2,4-triazol-3-yl)butan-1-amine?
3,3-dimethyl-1-(1-methyl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1-methyl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 82407574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).