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

C10H20N4 — CID 104997860

IUPAC3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
SMILESCCC(C)(C)C(N)Cc1ncnn1C
InChIInChI=1S/C10H20N4/c1-5-10(2,3)8(11)6-9-12-7-13-14(9)4/h7-8H,5-6,11H2,1-4H3
InChIKeyMCEBMJVQJHKJDZ-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.12
Rot. Bonds4

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

3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine (PubChem CID 104997860) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
PubChem CID104997860
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
SMILESCCC(C)(C)C(N)Cc1ncnn1C
InChIInChI=1S/C10H20N4/c1-5-10(2,3)8(11)6-9-12-7-13-14(9)4/h7-8H,5-6,11H2,1-4H3
InChIKeyMCEBMJVQJHKJDZ-UHFFFAOYSA-N
XLogP1.12
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine
CID 79052789
N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997587
1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
CID 104997891
1-(4-tert-butylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997926
3-(diethylamino)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79064254
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64673278
2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 112562610
3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79061531
3-hydrazinyl-N,N,2-trimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105238923
5-[2-(bromomethyl)butyl]-1-methyl-1,2,4-triazole
CID 66043454
1-methylsulfonyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 115649274
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine (CID 104997860) is 3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine is CCC(C)(C)C(N)Cc1ncnn1C.
What is the InChIKey of 3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine?
The InChIKey is MCEBMJVQJHKJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-5-10(2,3)8(11)6-9-12-7-13-14(9)4/h7-8H,5-6,11H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine?
3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine has a molecular weight of 196.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine is sourced from PubChem (CID 104997860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).