N-cyclohexyl-1-[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methanimine

C14H22N4O — CID 125458013

IUPACN-cyclohexyl-1-[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methanimine
SMILESC(=N/C1CCCCC1)\c1cn(C[C@@H]2CCOC2)nn1
InChIInChI=1S/C14H22N4O/c1-2-4-13(5-3-1)15-8-14-10-18(17-16-14)9-12-6-7-19-11-12/h8,10,12-13H,1-7,9,11H2/b15-8+/t12-/m0/s1
InChIKeySREDMGMOKGGMMN-AAWHYMEISA-N
MW262.36 g/mol
LogP2.07
Rot. Bonds4

About N-cyclohexyl-1-[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methanimine

N-cyclohexyl-1-[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methanimine (PubChem CID 125458013) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-cyclohexyl-1-[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methanimine.

Molecular Properties

Compound NameN-cyclohexyl-1-[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methanimine
PubChem CID125458013
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-cyclohexyl-1-[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methanimine
SMILESC(=N/C1CCCCC1)\c1cn(C[C@@H]2CCOC2)nn1
InChIInChI=1S/C14H22N4O/c1-2-4-13(5-3-1)15-8-14-10-18(17-16-14)9-12-6-7-19-11-12/h8,10,12-13H,1-7,9,11H2/b15-8+/t12-/m0/s1
InChIKeySREDMGMOKGGMMN-AAWHYMEISA-N
XLogP2.07
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoroethyl)-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine
CID 125457943
N-butyl-1-[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methanimine
CID 125458311
1-(oxan-4-ylmethyl)triazole-4-carbaldehyde
CID 66215990
[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol
CID 62400526
4-(chloromethyl)-1-[[(3S)-oxolan-3-yl]methyl]triazole
CID 129367875
methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate
CID 129412512
2-methyl-N-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]butan-2-amine
CID 155896654
N-[[1-[[(3R)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-1-amine
CID 125456676
2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine
CID 125457580
2-[4-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]piperazin-1-yl]cyclopentan-1-ol
CID 167897149
4-(bromomethyl)-1-(oxan-4-ylmethyl)triazole
CID 62402137
4-(chloromethyl)-1-(oxan-4-ylmethyl)triazole
CID 62399510

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methanimine?
The IUPAC name of N-cyclohexyl-1-[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methanimine (CID 125458013) is N-cyclohexyl-1-[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methanimine.
What is the SMILES notation for N-cyclohexyl-1-[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methanimine?
The canonical SMILES for N-cyclohexyl-1-[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methanimine is C(=N/C1CCCCC1)\c1cn(C[C@@H]2CCOC2)nn1.
What is the InChIKey of N-cyclohexyl-1-[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methanimine?
The InChIKey is SREDMGMOKGGMMN-AAWHYMEISA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-4-13(5-3-1)15-8-14-10-18(17-16-14)9-12-6-7-19-11-12/h8,10,12-13H,1-7,9,11H2/b15-8+/t12-/m0/s1.
What are the key properties of N-cyclohexyl-1-[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methanimine?
N-cyclohexyl-1-[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methanimine has a molecular weight of 262.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methanimine is sourced from PubChem (CID 125458013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).