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

C16H32N4 — CID 83139699

IUPAC3,3-dimethyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-propylbutan-1-amine
SMILESCCCNCC(Cc1ncnn1CC(C)C)C(C)(C)C
InChIInChI=1S/C16H32N4/c1-7-8-17-10-14(16(4,5)6)9-15-18-12-19-20(15)11-13(2)3/h12-14,17H,7-11H2,1-6H3
InChIKeyLPUIPDUKIAGJCC-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.14
Rot. Bonds8

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

3,3-dimethyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-propylbutan-1-amine (PubChem CID 83139699) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 3,3-dimethyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-propylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-propylbutan-1-amine
PubChem CID83139699
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name3,3-dimethyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-propylbutan-1-amine
SMILESCCCNCC(Cc1ncnn1CC(C)C)C(C)(C)C
InChIInChI=1S/C16H32N4/c1-7-8-17-10-14(16(4,5)6)9-15-18-12-19-20(15)11-13(2)3/h12-14,17H,7-11H2,1-6H3
InChIKeyLPUIPDUKIAGJCC-UHFFFAOYSA-N
XLogP3.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,3-dimethyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-propylbutan-1-amine with MolForge

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Related Compounds

2-cyclopentyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-N-propylpropan-1-amine
CID 115926635
5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 58157944
2-methyl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-2-amine
CID 115970075
N-[1-(1,4-dithian-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]propan-1-amine
CID 79961270
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propoxy-N-propylbutan-2-amine
CID 105160794
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
CID 105201026
3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 83138306
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine
CID 104999897
5-[2-(bromomethyl)-3,3-dimethylbutyl]-1-ethyl-1,2,4-triazole
CID 83141414
2-methoxy-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 102698021
2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine
CID 81017156
N,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 105239298

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-propylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-propylbutan-1-amine (CID 83139699) is 3,3-dimethyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-propylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-propylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-propylbutan-1-amine is CCCNCC(Cc1ncnn1CC(C)C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-propylbutan-1-amine?
The InChIKey is LPUIPDUKIAGJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-7-8-17-10-14(16(4,5)6)9-15-18-12-19-20(15)11-13(2)3/h12-14,17H,7-11H2,1-6H3.
What are the key properties of 3,3-dimethyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-propylbutan-1-amine?
3,3-dimethyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-propylbutan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 3.14, 8 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-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-propylbutan-1-amine is sourced from PubChem (CID 83139699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).