3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine

C8H16N4 — CID 114686985

IUPAC3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine
SMILESCC(C)CC(N)c1cnnn1C
InChIInChI=1S/C8H16N4/c1-6(2)4-7(9)8-5-10-11-12(8)3/h5-7H,4,9H2,1-3H3
InChIKeyLBGHJJYPUSDPLR-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.86
Rot. Bonds3

About 3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine

3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine (PubChem CID 114686985) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine
PubChem CID114686985
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine
SMILESCC(C)CC(N)c1cnnn1C
InChIInChI=1S/C8H16N4/c1-6(2)4-7(9)8-5-10-11-12(8)3/h5-7H,4,9H2,1-3H3
InChIKeyLBGHJJYPUSDPLR-UHFFFAOYSA-N
XLogP0.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(3-methyltriazol-4-yl)propanoic acid
CID 131049940
4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114688588
2-(3-methyltriazol-4-yl)propan-1-amine
CID 114691377
2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine
CID 131011065
1-(3-methyltriazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 130730117
1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine
CID 114687299
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
CID 105083062
2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine
CID 114687245
2-amino-1-(3-methyltriazol-4-yl)ethanol
CID 114685353
1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine
CID 105043778
N-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine
CID 114690459
N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687181

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine?
The IUPAC name of 3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine (CID 114686985) is 3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine?
The canonical SMILES for 3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine is CC(C)CC(N)c1cnnn1C.
What is the InChIKey of 3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine?
The InChIKey is LBGHJJYPUSDPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(2)4-7(9)8-5-10-11-12(8)3/h5-7H,4,9H2,1-3H3.
What are the key properties of 3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine?
3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine has a molecular weight of 168.24 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine is sourced from PubChem (CID 114686985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).