4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine

C15H22N4 — CID 54913963

IUPAC4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine
SMILESCC(C)CCCNCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H22N4/c1-13(2)7-6-10-16-11-14-12-17-19(18-14)15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3
InChIKeyWLYFDTMQBQCOMD-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.79
Rot. Bonds7

About 4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine

4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine (PubChem CID 54913963) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine
PubChem CID54913963
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine
SMILESCC(C)CCCNCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H22N4/c1-13(2)7-6-10-16-11-14-12-17-19(18-14)15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3
InChIKeyWLYFDTMQBQCOMD-UHFFFAOYSA-N
XLogP2.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.79
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

N-[(1-benzyltriazol-4-yl)methyl]aniline
CID 16745947
(1-phenyl-1H-1,2,3-triazol-4-yl)methanamine
CID 18526002
(2-phenyl-2H-1,2,3-triazol-4-yl)methanamine
CID 599268
N,N-dimethyl-1-(4-(((2-phenyl-2H-1,2,3-triazol-4-yl)methylamino)methyl)phenyl)methanamine
CID 8851244
N-[(1H-1,2,3-triazol-5-yl)methyl]aniline
CID 61318525
1-phenyl-5-(propan-2-yl)-1H-pyrazol-4-amine hydrochloride
CID 86775415
N-[2-(4-piperidin-3-yl-1H-1,2,3-triazol-1-yl)ethyl]aniline
CID 72878628
N,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 9115212
benzyl[(1H-1,2,3-triazol-5-yl)methyl]amine
CID 61318526
methyl((2-phenyl-2H-1,2,3-triazol-4-yl)methyl)amine hydrochloride
CID 54594671
1-(1-phenyl-1H-1,2,3-triazol-5-yl)methanamine
CID 56772096
2-(1-phenyl-1H-1,2,3-triazol-4-yl)propan-2-amine hydrochloride
CID 71755859

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine (CID 54913963) is 4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine is CC(C)CCCNCc1cnn(-c2ccccc2)n1.
What is the InChIKey of 4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine?
The InChIKey is WLYFDTMQBQCOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-13(2)7-6-10-16-11-14-12-17-19(18-14)15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3.
What are the key properties of 4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine?
4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine is sourced from PubChem (CID 54913963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).