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

C12H24N4 — CID 83138306

IUPAC3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
SMILESCCCn1ncnc1CC(CN)C(C)(C)C
InChIInChI=1S/C12H24N4/c1-5-6-16-11(14-9-15-16)7-10(8-13)12(2,3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyIISBKBFOLNUUCT-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.85
Rot. Bonds5

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

3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine (PubChem CID 83138306) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
PubChem CID83138306
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
SMILESCCCn1ncnc1CC(CN)C(C)(C)C
InChIInChI=1S/C12H24N4/c1-5-6-16-11(14-9-15-16)7-10(8-13)12(2,3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyIISBKBFOLNUUCT-UHFFFAOYSA-N
XLogP1.85
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002958
(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
CID 139026277
5-[2-(bromomethyl)-3,3-dimethylbutyl]-1-ethyl-1,2,4-triazole
CID 83141414
4,4,4-trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312099
3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 115816529
3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79045251
5-[2-(chloromethyl)butyl]-1-propyl-1,2,4-triazole
CID 66034116
N,N-diethyl-2-hydrazinyl-3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-3-amine
CID 105240944
2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine
CID 81017156
N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 105003061
[1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105199354
3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 79060447

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine (CID 83138306) is 3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine is CCCn1ncnc1CC(CN)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The InChIKey is IISBKBFOLNUUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-5-6-16-11(14-9-15-16)7-10(8-13)12(2,3)4/h9-10H,5-8,13H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 83138306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).