N-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one

C16H31NO5 — CID 157326609

IUPACN-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one
SMILESCOC(OC)/C(C)=N/C1CCCCC1.COC(OC)C(C)=O
InChIInChI=1S/C11H21NO2.C5H10O3/c1-9(11(13-2)14-3)12-10-7-5-4-6-8-10;1-4(6)5(7-2)8-3/h10-11H,4-8H2,1-3H3;5H,1-3H3/b12-9+;
InChIKeyBEULFUKMZKIBLM-NBYYMMLRSA-N
MW317.43 g/mol
LogP2.59
Rot. Bonds7

About N-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one

N-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one (PubChem CID 157326609) has the molecular formula C16H31NO5 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one.

Molecular Properties

Compound NameN-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one
PubChem CID157326609
Molecular FormulaC16H31NO5
Molecular Weight317.43 g/mol
Exact Mass317.22
IUPAC NameN-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one
SMILESCOC(OC)/C(C)=N/C1CCCCC1.COC(OC)C(C)=O
InChIInChI=1S/C11H21NO2.C5H10O3/c1-9(11(13-2)14-3)12-10-7-5-4-6-8-10;1-4(6)5(7-2)8-3/h10-11H,4-8H2,1-3H3;5H,1-3H3/b12-9+;
InChIKeyBEULFUKMZKIBLM-NBYYMMLRSA-N
XLogP2.59
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-1,1-dimethoxy-4-methylpentan-2-imine
CID 71383098
N-cyclohexyl-3-methylbut-3-en-2-imine
CID 86006546
N,N'-dicyclohexylmethanediimine;propan-2-one
CID 142827484
N-cyclohexylethanimidoyl fluoride
CID 24977694
N-cyclohexyl-2-methyl-1-phosphanylprop-2-en-1-imine
CID 166712384
dimethyl 2-(cyclohexyliminomethylidene)-3-methoxybutanedioate
CID 135004319
3-cyclohexylimino-N-[4-(3-cyclohexyliminobutanoylamino)cyclohexyl]butanamide
CID 54169753
N-cyclohexyl-6-methyl-3-(trifluoromethyl)hept-5-en-2-imine
CID 162565603
(propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate
CID 86664643
trimethyl 4-acetyl-1-cyclohexylimino-5-oxohex-1-ene-1,2,3-tricarboxylate
CID 15893083
2-cyclopentyl-1-methoxyguanidine
CID 130567773
ethane;methyl cyclohexanecarboxylate
CID 90871014

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one?
The IUPAC name of N-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one (CID 157326609) is N-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one.
What is the SMILES notation for N-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one?
The canonical SMILES for N-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one is COC(OC)/C(C)=N/C1CCCCC1.COC(OC)C(C)=O.
What is the InChIKey of N-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one?
The InChIKey is BEULFUKMZKIBLM-NBYYMMLRSA-N. The full InChI is InChI=1S/C11H21NO2.C5H10O3/c1-9(11(13-2)14-3)12-10-7-5-4-6-8-10;1-4(6)5(7-2)8-3/h10-11H,4-8H2,1-3H3;5H,1-3H3/b12-9+;.
What are the key properties of N-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one?
N-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one has a molecular weight of 317.43 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,1-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one is sourced from PubChem (CID 157326609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).