N,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine

C16H24N4 — CID 105177169

IUPACN,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine
SMILESCNC(CCCC(C)C)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H24N4/c1-13(2)8-7-11-15(17-3)16-12-18-20(19-16)14-9-5-4-6-10-14/h4-6,9-10,12-13,15,17H,7-8,11H2,1-3H3
InChIKeyVJWIQGMLKSODEO-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.35
Rot. Bonds7

About N,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine

N,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine (PubChem CID 105177169) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine
PubChem CID105177169
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine
SMILESCNC(CCCC(C)C)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H24N4/c1-13(2)8-7-11-15(17-3)16-12-18-20(19-16)14-9-5-4-6-10-14/h4-6,9-10,12-13,15,17H,7-8,11H2,1-3H3
InChIKeyVJWIQGMLKSODEO-UHFFFAOYSA-N
XLogP3.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine?
The IUPAC name of N,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine (CID 105177169) is N,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine.
What is the SMILES notation for N,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine?
The canonical SMILES for N,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine is CNC(CCCC(C)C)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine?
The InChIKey is VJWIQGMLKSODEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13(2)8-7-11-15(17-3)16-12-18-20(19-16)14-9-5-4-6-10-14/h4-6,9-10,12-13,15,17H,7-8,11H2,1-3H3.
What are the key properties of N,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine?
N,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine has a molecular weight of 272.40 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine is sourced from PubChem (CID 105177169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).