1-(1-methyltriazol-4-yl)tridecan-2-amine

C16H32N4 — CID 107063941

IUPAC1-(1-methyltriazol-4-yl)tridecan-2-amine
SMILESCCCCCCCCCCCC(N)Cc1cn(C)nn1
InChIInChI=1S/C16H32N4/c1-3-4-5-6-7-8-9-10-11-12-15(17)13-16-14-20(2)19-18-16/h14-15H,3-13,17H2,1-2H3
InChIKeyVVIJHWFLFXFAFD-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.61
Rot. Bonds12

About 1-(1-methyltriazol-4-yl)tridecan-2-amine

1-(1-methyltriazol-4-yl)tridecan-2-amine (PubChem CID 107063941) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(1-methyltriazol-4-yl)tridecan-2-amine.

Molecular Properties

Compound Name1-(1-methyltriazol-4-yl)tridecan-2-amine
PubChem CID107063941
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-(1-methyltriazol-4-yl)tridecan-2-amine
SMILESCCCCCCCCCCCC(N)Cc1cn(C)nn1
InChIInChI=1S/C16H32N4/c1-3-4-5-6-7-8-9-10-11-12-15(17)13-16-14-20(2)19-18-16/h14-15H,3-13,17H2,1-2H3
InChIKeyVVIJHWFLFXFAFD-UHFFFAOYSA-N
XLogP3.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
1-(1-methyltriazol-4-yl)hexan-2-ol
CID 107046013
1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045999
1-[(2-methylpropan-2-yl)oxy]-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107063713
4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063897
4-[2-(bromomethyl)pentyl]-1-methyltriazole
CID 107058112
[1-(1-methyltriazol-4-yl)-3-propylhexan-2-yl]hydrazine
CID 107066634
4-(1-methyltriazol-4-yl)butan-2-amine
CID 107044565
4-butyl-1-methyltriazole;methane;1-methyl-4-propyltriazole
CID 158259702
1-(4-methyl-1,3-thiazol-2-yl)-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048995
2-amino-3-(1-decyltriazol-4-yl)propanoic acid
CID 116735123
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltriazol-4-yl)tridecan-2-amine?
The IUPAC name of 1-(1-methyltriazol-4-yl)tridecan-2-amine (CID 107063941) is 1-(1-methyltriazol-4-yl)tridecan-2-amine.
What is the SMILES notation for 1-(1-methyltriazol-4-yl)tridecan-2-amine?
The canonical SMILES for 1-(1-methyltriazol-4-yl)tridecan-2-amine is CCCCCCCCCCCC(N)Cc1cn(C)nn1.
What is the InChIKey of 1-(1-methyltriazol-4-yl)tridecan-2-amine?
The InChIKey is VVIJHWFLFXFAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-3-4-5-6-7-8-9-10-11-12-15(17)13-16-14-20(2)19-18-16/h14-15H,3-13,17H2,1-2H3.
What are the key properties of 1-(1-methyltriazol-4-yl)tridecan-2-amine?
1-(1-methyltriazol-4-yl)tridecan-2-amine has a molecular weight of 280.46 g/mol, XLogP of 3.61, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltriazol-4-yl)tridecan-2-amine is sourced from PubChem (CID 107063941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).