N-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine

C16H22N4 — CID 105163963

IUPACN-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine
SMILESC=C(CC)CC(NCC)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-4-13(3)11-15(17-5-2)16-12-18-20(19-16)14-9-7-6-8-10-14/h6-10,12,15,17H,3-5,11H2,1-2H3
InChIKeyNOZGJNPUAJGLDR-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.27
Rot. Bonds7

About N-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine

N-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine (PubChem CID 105163963) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine
PubChem CID105163963
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine
SMILESC=C(CC)CC(NCC)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-4-13(3)11-15(17-5-2)16-12-18-20(19-16)14-9-7-6-8-10-14/h6-10,12,15,17H,3-5,11H2,1-2H3
InChIKeyNOZGJNPUAJGLDR-UHFFFAOYSA-N
XLogP3.27
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(2-phenyltriazol-4-yl)hex-5-en-1-amine
CID 105153106
N,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine
CID 105182681
N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105149998
N,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine
CID 105177169
4-pentan-2-yl-2-phenyltriazole
CID 163429787
N-ethyl-3-methylidene-1-(2-methylpyrazol-3-yl)pentan-1-amine
CID 105163864
N-ethyl-3-methylidene-1-(1-methylimidazol-4-yl)pentan-1-amine
CID 107976217
N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine
CID 105146680
2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
CID 114013665
[3-methyl-1-(2-phenyltriazol-4-yl)pentyl]hydrazine
CID 105298472
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233
4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
CID 105091547

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine?
The IUPAC name of N-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine (CID 105163963) is N-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine is C=C(CC)CC(NCC)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine?
The InChIKey is NOZGJNPUAJGLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-13(3)11-15(17-5-2)16-12-18-20(19-16)14-9-7-6-8-10-14/h6-10,12,15,17H,3-5,11H2,1-2H3.
What are the key properties of N-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine?
N-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylidene-1-(2-phenyltriazol-4-yl)pentan-1-amine is sourced from PubChem (CID 105163963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).