N-[[1-(3-methoxycyclohexyl)triazol-4-yl]methyl]ethanamine

C12H22N4O — CID 66193890

IUPACN-[[1-(3-methoxycyclohexyl)triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(C2CCCC(OC)C2)nn1
InChIInChI=1S/C12H22N4O/c1-3-13-8-10-9-16(15-14-10)11-5-4-6-12(7-11)17-2/h9,11-13H,3-8H2,1-2H3
InChIKeyCYOCOGLTJLWXJM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.52
Rot. Bonds5

About N-[[1-(3-methoxycyclohexyl)triazol-4-yl]methyl]ethanamine

N-[[1-(3-methoxycyclohexyl)triazol-4-yl]methyl]ethanamine (PubChem CID 66193890) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[[1-(3-methoxycyclohexyl)triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methoxycyclohexyl)triazol-4-yl]methyl]ethanamine
PubChem CID66193890
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[[1-(3-methoxycyclohexyl)triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(C2CCCC(OC)C2)nn1
InChIInChI=1S/C12H22N4O/c1-3-13-8-10-9-16(15-14-10)11-5-4-6-12(7-11)17-2/h9,11-13H,3-8H2,1-2H3
InChIKeyCYOCOGLTJLWXJM-UHFFFAOYSA-N
XLogP1.52
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxycyclohexyl)triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methoxycyclohexyl)triazol-4-yl]methyl]ethanamine (CID 66193890) is N-[[1-(3-methoxycyclohexyl)triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methoxycyclohexyl)triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methoxycyclohexyl)triazol-4-yl]methyl]ethanamine is CCNCc1cn(C2CCCC(OC)C2)nn1.
What is the InChIKey of N-[[1-(3-methoxycyclohexyl)triazol-4-yl]methyl]ethanamine?
The InChIKey is CYOCOGLTJLWXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-13-8-10-9-16(15-14-10)11-5-4-6-12(7-11)17-2/h9,11-13H,3-8H2,1-2H3.
What are the key properties of N-[[1-(3-methoxycyclohexyl)triazol-4-yl]methyl]ethanamine?
N-[[1-(3-methoxycyclohexyl)triazol-4-yl]methyl]ethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxycyclohexyl)triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66193890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).