N-cyclohexyl-1,1-dimethoxy-4-methylpentan-2-imine

C14H27NO2 — CID 71383098

IUPACN-cyclohexyl-1,1-dimethoxy-4-methylpentan-2-imine
SMILESCOC(OC)/C(CC(C)C)=N/C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-11(2)10-13(14(16-3)17-4)15-12-8-6-5-7-9-12/h11-12,14H,5-10H2,1-4H3/b15-13+
InChIKeyHZNXYYJYFGFRHT-FYWRMAATSA-N
MW241.38 g/mol
LogP3.43
Rot. Bonds6

About N-cyclohexyl-1,1-dimethoxy-4-methylpentan-2-imine

N-cyclohexyl-1,1-dimethoxy-4-methylpentan-2-imine (PubChem CID 71383098) has the molecular formula C14H27NO2 and a molecular weight of 241.38 g/mol. Its IUPAC name is N-cyclohexyl-1,1-dimethoxy-4-methylpentan-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-1,1-dimethoxy-4-methylpentan-2-imine
PubChem CID71383098
Molecular FormulaC14H27NO2
Molecular Weight241.38 g/mol
Exact Mass241.20
IUPAC NameN-cyclohexyl-1,1-dimethoxy-4-methylpentan-2-imine
SMILESCOC(OC)/C(CC(C)C)=N/C1CCCCC1
InChIInChI=1S/C14H27NO2/c1-11(2)10-13(14(16-3)17-4)15-12-8-6-5-7-9-12/h11-12,14H,5-10H2,1-4H3/b15-13+
InChIKeyHZNXYYJYFGFRHT-FYWRMAATSA-N
XLogP3.43
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethoxypropan-2-imine;1,1-dimethoxypropan-2-one
CID 157326609
2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine
CID 62362061
N-cyclohexylethanimidoyl fluoride
CID 24977694
2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
CID 62362498
2-cyclohexyl-1-(5-methylhexan-2-yl)guanidine
CID 63925710
2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine
CID 82951287
CID 139125043
CID 139125043
N-cyclohexyl-3-methylbut-3-en-2-imine
CID 86006546
propan-2-yl N,N'-dicyclohexylcarbamimidate
CID 10945389
1-cyclohexyl-3-methylbutan-1-one
CID 4144247
N-amino-N'-cycloheptyl-2-methylbutanimidamide
CID 61361542
2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine
CID 65047958

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,1-dimethoxy-4-methylpentan-2-imine?
The IUPAC name of N-cyclohexyl-1,1-dimethoxy-4-methylpentan-2-imine (CID 71383098) is N-cyclohexyl-1,1-dimethoxy-4-methylpentan-2-imine.
What is the SMILES notation for N-cyclohexyl-1,1-dimethoxy-4-methylpentan-2-imine?
The canonical SMILES for N-cyclohexyl-1,1-dimethoxy-4-methylpentan-2-imine is COC(OC)/C(CC(C)C)=N/C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1,1-dimethoxy-4-methylpentan-2-imine?
The InChIKey is HZNXYYJYFGFRHT-FYWRMAATSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)10-13(14(16-3)17-4)15-12-8-6-5-7-9-12/h11-12,14H,5-10H2,1-4H3/b15-13+.
What are the key properties of N-cyclohexyl-1,1-dimethoxy-4-methylpentan-2-imine?
N-cyclohexyl-1,1-dimethoxy-4-methylpentan-2-imine has a molecular weight of 241.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,1-dimethoxy-4-methylpentan-2-imine is sourced from PubChem (CID 71383098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).