3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine

C12H24N4 — CID 102905256

IUPAC3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCc1ncnn1C)C(C)C
InChIInChI=1S/C12H24N4/c1-9(2)11(10(3)4)6-13-7-12-14-8-15-16(12)5/h8-11,13H,6-7H2,1-5H3
InChIKeyDEMLNRLFBFVIIR-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.83
Rot. Bonds6

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

3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine (PubChem CID 102905256) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
PubChem CID102905256
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCc1ncnn1C)C(C)C
InChIInChI=1S/C12H24N4/c1-9(2)11(10(3)4)6-13-7-12-14-8-15-16(12)5/h8-11,13H,6-7H2,1-5H3
InChIKeyDEMLNRLFBFVIIR-UHFFFAOYSA-N
XLogP1.83
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 115681286
(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
N-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 81015585
4-iodo-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 106844460
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905487
5-[(2-methyl-1,2,4-triazol-3-yl)methylamino]pentan-1-ol
CID 107317324
N-[(1-methylcyclobutyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 106813197
2,2-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propan-1-ol
CID 115359975
4,4,4-trifluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 115725795
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine
CID 115677442
1-methoxy-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]butan-2-ol
CID 106246462

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine (CID 102905256) is 3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine is CC(C)C(CNCc1ncnn1C)C(C)C.
What is the InChIKey of 3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine?
The InChIKey is DEMLNRLFBFVIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-9(2)11(10(3)4)6-13-7-12-14-8-15-16(12)5/h8-11,13H,6-7H2,1-5H3.
What are the key properties of 3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine?
3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102905256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).