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

C10H20N4 — CID 115681286

IUPAC3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
SMILESCC(NCc1ncnn1C)C(C)(C)C
InChIInChI=1S/C10H20N4/c1-8(10(2,3)4)11-6-9-12-7-13-14(9)5/h7-8,11H,6H2,1-5H3
InChIKeyJQGSXPGLYSMDOQ-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.34
Rot. Bonds3

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

3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine (PubChem CID 115681286) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
PubChem CID115681286
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
SMILESCC(NCc1ncnn1C)C(C)(C)C
InChIInChI=1S/C10H20N4/c1-8(10(2,3)4)11-6-9-12-7-13-14(9)5/h7-8,11H,6H2,1-5H3
InChIKeyJQGSXPGLYSMDOQ-UHFFFAOYSA-N
XLogP1.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 79249141
3-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 79249791
4,4,4-trifluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 115725795
3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102905256
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine
CID 115677442
(1S)-1-cyclohexyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81384071
6-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]hept-5-en-2-amine
CID 115725776
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]octan-4-amine
CID 103787498
2,2-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propan-1-ol
CID 115359975
(2S)-1-(2-fluorophenyl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 124620014
(1R)-1-[4-(difluoromethylsulfanyl)phenyl]-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 97323173
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64673278

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine?
The IUPAC name of 3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine (CID 115681286) is 3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine?
The canonical SMILES for 3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine is CC(NCc1ncnn1C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine?
The InChIKey is JQGSXPGLYSMDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-8(10(2,3)4)11-6-9-12-7-13-14(9)5/h7-8,11H,6H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine?
3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine has a molecular weight of 196.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine is sourced from PubChem (CID 115681286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).