N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine

C15H28N4O — CID 114689332

IUPACN-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnnn1C)C1(OCC)CCC(C)CC1
InChIInChI=1S/C15H28N4O/c1-5-16-14(13-11-17-18-19(13)4)15(20-6-2)9-7-12(3)8-10-15/h11-12,14,16H,5-10H2,1-4H3
InChIKeyYDNBSKWZSOAKCL-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.45
Rot. Bonds6

About N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine

N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 114689332) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID114689332
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnnn1C)C1(OCC)CCC(C)CC1
InChIInChI=1S/C15H28N4O/c1-5-16-14(13-11-17-18-19(13)4)15(20-6-2)9-7-12(3)8-10-15/h11-12,14,16H,5-10H2,1-4H3
InChIKeyYDNBSKWZSOAKCL-UHFFFAOYSA-N
XLogP2.45
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114686834
N-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689341
N-[(1-ethoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethyl]ethanamine
CID 116767269
N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043879
N-[(1-ethoxy-4-methylcyclohexyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833988
N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 116767370
N-[(4,4-dimethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114688067
N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 116764059
N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 102648132
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 116767095
N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689357
1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine
CID 116767273

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine (CID 114689332) is N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine is CCNC(c1cnnn1C)C1(OCC)CCC(C)CC1.
What is the InChIKey of N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is YDNBSKWZSOAKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-16-14(13-11-17-18-19(13)4)15(20-6-2)9-7-12(3)8-10-15/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 280.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 114689332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).