N-cyclohexyl-2-ethylbutan-1-imine;dihydroxy(oxo)phosphanium

C12H25NO3P+ — CID 157408217

IUPACN-cyclohexyl-2-ethylbutan-1-imine;dihydroxy(oxo)phosphanium
SMILESCCC(/C=N/C1CCCCC1)CC.O=[P+](O)O
InChIInChI=1S/C12H23N.HO3P/c1-3-11(4-2)10-13-12-8-6-5-7-9-12;1-4(2)3/h10-12H,3-9H2,1-2H3;(H-,1,2,3)/p+1/b13-10+;
InChIKeyFSZKKWOEZVDWSQ-RSGUCCNWSA-O
MW262.31 g/mol
LogP3.45
Rot. Bonds4

About N-cyclohexyl-2-ethylbutan-1-imine;dihydroxy(oxo)phosphanium

N-cyclohexyl-2-ethylbutan-1-imine;dihydroxy(oxo)phosphanium (PubChem CID 157408217) has the molecular formula C12H25NO3P+ and a molecular weight of 262.31 g/mol. Its IUPAC name is N-cyclohexyl-2-ethylbutan-1-imine;dihydroxy(oxo)phosphanium.

Molecular Properties

Compound NameN-cyclohexyl-2-ethylbutan-1-imine;dihydroxy(oxo)phosphanium
PubChem CID157408217
Molecular FormulaC12H25NO3P+
Molecular Weight262.31 g/mol
Exact Mass262.16
IUPAC NameN-cyclohexyl-2-ethylbutan-1-imine;dihydroxy(oxo)phosphanium
SMILESCCC(/C=N/C1CCCCC1)CC.O=[P+](O)O
InChIInChI=1S/C12H23N.HO3P/c1-3-11(4-2)10-13-12-8-6-5-7-9-12;1-4(2)3/h10-12H,3-9H2,1-2H3;(H-,1,2,3)/p+1/b13-10+;
InChIKeyFSZKKWOEZVDWSQ-RSGUCCNWSA-O
XLogP3.45
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexylpropan-1-imine
CID 3489363
N-cyclohexyl-2-ethylbut-2-en-1-imine
CID 71389613
tetrakis(dihydroxy(oxo)phosphanium);methylcyclohexane
CID 159674948
azane;butane;cyclobutane;dihydroxy(oxo)phosphanium
CID 67895311
3-cyclohexyliminopropanamide
CID 91368526
2-cyclopentylbutyl-hydroxy-oxophosphanium
CID 155059434
4-(2-cyclohexylbutyl)cyclohexan-1-ol
CID 143270572
2-cyclohexyl-1-octan-4-ylguanidine
CID 106025617
3-cyclohexyliminopropanethioamide
CID 91161039
tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
(2S)-2-cyclohexylbutanal
CID 88959248
(2R)-1-cyclohexylbutan-2-ol
CID 59949714

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ethylbutan-1-imine;dihydroxy(oxo)phosphanium?
The IUPAC name of N-cyclohexyl-2-ethylbutan-1-imine;dihydroxy(oxo)phosphanium (CID 157408217) is N-cyclohexyl-2-ethylbutan-1-imine;dihydroxy(oxo)phosphanium.
What is the SMILES notation for N-cyclohexyl-2-ethylbutan-1-imine;dihydroxy(oxo)phosphanium?
The canonical SMILES for N-cyclohexyl-2-ethylbutan-1-imine;dihydroxy(oxo)phosphanium is CCC(/C=N/C1CCCCC1)CC.O=[P+](O)O.
What is the InChIKey of N-cyclohexyl-2-ethylbutan-1-imine;dihydroxy(oxo)phosphanium?
The InChIKey is FSZKKWOEZVDWSQ-RSGUCCNWSA-O. The full InChI is InChI=1S/C12H23N.HO3P/c1-3-11(4-2)10-13-12-8-6-5-7-9-12;1-4(2)3/h10-12H,3-9H2,1-2H3;(H-,1,2,3)/p+1/b13-10+;.
What are the key properties of N-cyclohexyl-2-ethylbutan-1-imine;dihydroxy(oxo)phosphanium?
N-cyclohexyl-2-ethylbutan-1-imine;dihydroxy(oxo)phosphanium has a molecular weight of 262.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ethylbutan-1-imine;dihydroxy(oxo)phosphanium is sourced from PubChem (CID 157408217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).