N-decoxycyclohexanimine

C16H31NO — CID 23466975

IUPACN-decoxycyclohexanimine
SMILESCCCCCCCCCCON=C1CCCCC1
InChIInChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-12-15-18-17-16-13-10-9-11-14-16/h2-15H2,1H3
InChIKeyMCXMRCUJDFUUET-UHFFFAOYSA-N
MW253.43 g/mol
LogP5.46
Rot. Bonds10

About N-decoxycyclohexanimine

N-decoxycyclohexanimine (PubChem CID 23466975) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-decoxycyclohexanimine.

Molecular Properties

Compound NameN-decoxycyclohexanimine
PubChem CID23466975
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-decoxycyclohexanimine
SMILESCCCCCCCCCCON=C1CCCCC1
InChIInChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-12-15-18-17-16-13-10-9-11-14-16/h2-15H2,1H3
InChIKeyMCXMRCUJDFUUET-UHFFFAOYSA-N
XLogP5.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.43
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(13E)-13-heptoxyimino-oxacyclohexadecan-2-one
CID 24756670
3-(cyclopentylideneamino)oxypropan-1-amine
CID 58684619
N-cyclohexylidenehydroxylamine;hexane
CID 159104992
N-cyclohexylidenehydroxylamine;octan-1-ol
CID 174496993
cyclopropane;octadecane
CID 174865519
cyclopropane;icosane
CID 162221728
cyclopentanone;heptane
CID 20975482
N-hexoxypropan-2-imine;N-pentoxypropan-2-imine
CID 91028134
N-(cyclododecylideneamino)dodecanamide
CID 4575376
hexadecoxyiminosilane
CID 173221095
but-2-enedioic acid;2-(cyclododecylideneamino)oxy-N,N-diethylethanamine
CID 173439122
1-methyl-2-octoxycyclohexene
CID 70525122

Frequently Asked Questions

What is the IUPAC name of N-decoxycyclohexanimine?
The IUPAC name of N-decoxycyclohexanimine (CID 23466975) is N-decoxycyclohexanimine.
What is the SMILES notation for N-decoxycyclohexanimine?
The canonical SMILES for N-decoxycyclohexanimine is CCCCCCCCCCON=C1CCCCC1.
What is the InChIKey of N-decoxycyclohexanimine?
The InChIKey is MCXMRCUJDFUUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-12-15-18-17-16-13-10-9-11-14-16/h2-15H2,1H3.
What are the key properties of N-decoxycyclohexanimine?
N-decoxycyclohexanimine has a molecular weight of 253.43 g/mol, XLogP of 5.46, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decoxycyclohexanimine is sourced from PubChem (CID 23466975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).