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

C16H32N4 — CID 104999897

IUPACN-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1ncnn1CC(C)C)NC
InChIInChI=1S/C16H32N4/c1-6-8-14(9-7-2)15(17-5)10-16-18-12-19-20(16)11-13(3)4/h12-15,17H,6-11H2,1-5H3
InChIKeyDUVSGMDJEIISHT-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.28
Rot. Bonds10

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

N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine (PubChem CID 104999897) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine
PubChem CID104999897
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC NameN-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine
SMILESCCCC(CCC)C(Cc1ncnn1CC(C)C)NC
InChIInChI=1S/C16H32N4/c1-6-8-14(9-7-2)15(17-5)10-16-18-12-19-20(16)11-13(3)4/h12-15,17H,6-11H2,1-5H3
InChIKeyDUVSGMDJEIISHT-UHFFFAOYSA-N
XLogP3.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-ethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-yl]hydrazine
CID 105317619
N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 105003061
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
CID 105201026
1-cyclooctyl-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 80610722
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 66059154
N-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]butan-1-amine
CID 79108050
N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
CID 104999745
1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000098
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propoxy-N-propylbutan-2-amine
CID 105160794
N-methyl-1-(1-methylcyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000139
N-methyl-3-methylsulfonyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003193
N,3-dimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-methylsulfonylbutan-2-amine
CID 105000003

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine?
The IUPAC name of N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine (CID 104999897) is N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine.
What is the SMILES notation for N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine?
The canonical SMILES for N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine is CCCC(CCC)C(Cc1ncnn1CC(C)C)NC.
What is the InChIKey of N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine?
The InChIKey is DUVSGMDJEIISHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-6-8-14(9-7-2)15(17-5)10-16-18-12-19-20(16)11-13(3)4/h12-15,17H,6-11H2,1-5H3.
What are the key properties of N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine?
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine has a molecular weight of 280.46 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine is sourced from PubChem (CID 104999897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).