N-[(1-tert-butyltriazol-4-yl)methyl]-2-(cyclohexen-1-yl)ethanamine

C15H26N4 — CID 103398573

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-2-(cyclohexen-1-yl)ethanamine
SMILESCC(C)(C)n1cc(CNCCC2=CCCCC2)nn1
InChIInChI=1S/C15H26N4/c1-15(2,3)19-12-14(17-18-19)11-16-10-9-13-7-5-4-6-8-13/h7,12,16H,4-6,8-11H2,1-3H3
InChIKeyROQKPYMPMLWXRL-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.01
Rot. Bonds5

About N-[(1-tert-butyltriazol-4-yl)methyl]-2-(cyclohexen-1-yl)ethanamine

N-[(1-tert-butyltriazol-4-yl)methyl]-2-(cyclohexen-1-yl)ethanamine (PubChem CID 103398573) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-2-(cyclohexen-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-2-(cyclohexen-1-yl)ethanamine
PubChem CID103398573
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-2-(cyclohexen-1-yl)ethanamine
SMILESCC(C)(C)n1cc(CNCCC2=CCCCC2)nn1
InChIInChI=1S/C15H26N4/c1-15(2,3)19-12-14(17-18-19)11-16-10-9-13-7-5-4-6-8-13/h7,12,16H,4-6,8-11H2,1-3H3
InChIKeyROQKPYMPMLWXRL-UHFFFAOYSA-N
XLogP3.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1-tert-butyltriazol-4-yl)methyl]-2-(cyclohexen-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2-(cyclohexen-1-yl)ethanamine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2-(cyclohexen-1-yl)ethanamine (CID 103398573) is N-[(1-tert-butyltriazol-4-yl)methyl]-2-(cyclohexen-1-yl)ethanamine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-2-(cyclohexen-1-yl)ethanamine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-2-(cyclohexen-1-yl)ethanamine is CC(C)(C)n1cc(CNCCC2=CCCCC2)nn1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-2-(cyclohexen-1-yl)ethanamine?
The InChIKey is ROQKPYMPMLWXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-15(2,3)19-12-14(17-18-19)11-16-10-9-13-7-5-4-6-8-13/h7,12,16H,4-6,8-11H2,1-3H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-2-(cyclohexen-1-yl)ethanamine?
N-[(1-tert-butyltriazol-4-yl)methyl]-2-(cyclohexen-1-yl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-2-(cyclohexen-1-yl)ethanamine is sourced from PubChem (CID 103398573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).