N,N-dimethyl-2-[[1-(4-methylcyclohexyl)triazol-4-yl]methoxy]ethanamine

C14H26N4O — CID 155261071

IUPACN,N-dimethyl-2-[[1-(4-methylcyclohexyl)triazol-4-yl]methoxy]ethanamine
SMILESCC1CCC(n2cc(COCCN(C)C)nn2)CC1
InChIInChI=1S/C14H26N4O/c1-12-4-6-14(7-5-12)18-10-13(15-16-18)11-19-9-8-17(2)3/h10,12,14H,4-9,11H2,1-3H3
InChIKeyPRGJEYGWZGISAV-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.11
Rot. Bonds6

About N,N-dimethyl-2-[[1-(4-methylcyclohexyl)triazol-4-yl]methoxy]ethanamine

N,N-dimethyl-2-[[1-(4-methylcyclohexyl)triazol-4-yl]methoxy]ethanamine (PubChem CID 155261071) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[[1-(4-methylcyclohexyl)triazol-4-yl]methoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[1-(4-methylcyclohexyl)triazol-4-yl]methoxy]ethanamine
PubChem CID155261071
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN,N-dimethyl-2-[[1-(4-methylcyclohexyl)triazol-4-yl]methoxy]ethanamine
SMILESCC1CCC(n2cc(COCCN(C)C)nn2)CC1
InChIInChI=1S/C14H26N4O/c1-12-4-6-14(7-5-12)18-10-13(15-16-18)11-19-9-8-17(2)3/h10,12,14H,4-9,11H2,1-3H3
InChIKeyPRGJEYGWZGISAV-UHFFFAOYSA-N
XLogP2.11
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-[[1-(4-methylcyclohexyl)triazol-4-yl]methoxy]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

4-(4,5-dihydrooxazol-2-yl)-1-heptyl-1H-1,2,3-triazole
CID 44445273
1-Cyclohexyl-3-{[4-(methoxymethyl)-1H-1,2,3-triazol-1-YL]methyl}piperidine
CID 124038708
3-{[4-(Methoxymethyl)-1H-1,2,3-triazol-1-YL]methyl}-1'-methyl-1,4'-bipiperidine
CID 124038714
1'-Ethyl-3-{[4-(methoxymethyl)-1H-1,2,3-triazol-1-YL]methyl}-1,4'-bipiperidine
CID 124038716
3-[[4-(Methoxymethyl)triazol-1-yl]methyl]-1-[1-(2-methylpropyl)piperidin-4-yl]piperidine
CID 124038717
[1-(3-Methylcyclohexyl)triazol-4-yl]methanol
CID 64249095
4-[2-(2-Methoxyethoxy)ethoxymethyl]-1-(2-octadecylhenicosyl)triazole
CID 118244302
4-[2-(2-Methoxyethoxy)ethoxymethyl]-1-(2-tetradecylhexadecyl)triazole
CID 118244370
4-[2-[2-(2-Azidoethoxy)ethoxy]ethoxymethyl]-1-(cyclobutylmethyl)triazole
CID 118261236
1-(Cyclobutylmethyl)-4-(methoxymethyl)triazole
CID 118265065
1-[(4-Cyclopentylcyclohexyl)methyl]-4-(methoxymethyl)triazole
CID 123527408
1-Heptan-4-yl-4-(methoxymethyl)triazole
CID 123549643

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[1-(4-methylcyclohexyl)triazol-4-yl]methoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[1-(4-methylcyclohexyl)triazol-4-yl]methoxy]ethanamine (CID 155261071) is N,N-dimethyl-2-[[1-(4-methylcyclohexyl)triazol-4-yl]methoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[1-(4-methylcyclohexyl)triazol-4-yl]methoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[1-(4-methylcyclohexyl)triazol-4-yl]methoxy]ethanamine is CC1CCC(n2cc(COCCN(C)C)nn2)CC1.
What is the InChIKey of N,N-dimethyl-2-[[1-(4-methylcyclohexyl)triazol-4-yl]methoxy]ethanamine?
The InChIKey is PRGJEYGWZGISAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-12-4-6-14(7-5-12)18-10-13(15-16-18)11-19-9-8-17(2)3/h10,12,14H,4-9,11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[1-(4-methylcyclohexyl)triazol-4-yl]methoxy]ethanamine?
N,N-dimethyl-2-[[1-(4-methylcyclohexyl)triazol-4-yl]methoxy]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[1-(4-methylcyclohexyl)triazol-4-yl]methoxy]ethanamine is sourced from PubChem (CID 155261071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).