N-(3,3-dimethylbutoxy)cyclohexanimine

C12H23NO — CID 59192970

IUPACN-(3,3-dimethylbutoxy)cyclohexanimine
SMILESCC(C)(C)CCON=C1CCCCC1
InChIInChI=1S/C12H23NO/c1-12(2,3)9-10-14-13-11-7-5-4-6-8-11/h4-10H2,1-3H3
InChIKeyZSUBOYVSEGHVPG-UHFFFAOYSA-N
MW197.32 g/mol
LogP3.76
Rot. Bonds3

About N-(3,3-dimethylbutoxy)cyclohexanimine

N-(3,3-dimethylbutoxy)cyclohexanimine (PubChem CID 59192970) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(3,3-dimethylbutoxy)cyclohexanimine.

Molecular Properties

Compound NameN-(3,3-dimethylbutoxy)cyclohexanimine
PubChem CID59192970
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(3,3-dimethylbutoxy)cyclohexanimine
SMILESCC(C)(C)CCON=C1CCCCC1
InChIInChI=1S/C12H23NO/c1-12(2,3)9-10-14-13-11-7-5-4-6-8-11/h4-10H2,1-3H3
InChIKeyZSUBOYVSEGHVPG-UHFFFAOYSA-N
XLogP3.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.76
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

CID 178337427
CID 178337427
N-butoxycyclohexanimine
CID 12614250
N-propoxycyclohexanimine
CID 20494551
N-(2-methylpropoxy)cyclohexanimine
CID 58362930
N-(3,3-dimethylbutoxy)propan-2-imine
CID 59192988
(Z)-4,4-dimethyl-N-propoxypentan-2-imine
CID 59350940
(E)-4,4-dimethyl-N-propoxypentan-2-imine
CID 59351043
(Z)-N-ethoxy-3,3-dimethylbutan-2-imine
CID 59409470
(E)-N-ethoxy-3,3-dimethylbutan-2-imine
CID 59409500
4,4-dimethyl-N-propoxypentan-2-imine
CID 72268048
(E)-3,3-dimethyl-N-propoxybutan-2-imine
CID 88538853
(E)-2,2-dimethyl-N-propoxypentan-3-imine
CID 88538854

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutoxy)cyclohexanimine?
The IUPAC name of N-(3,3-dimethylbutoxy)cyclohexanimine (CID 59192970) is N-(3,3-dimethylbutoxy)cyclohexanimine.
What is the SMILES notation for N-(3,3-dimethylbutoxy)cyclohexanimine?
The canonical SMILES for N-(3,3-dimethylbutoxy)cyclohexanimine is CC(C)(C)CCON=C1CCCCC1.
What is the InChIKey of N-(3,3-dimethylbutoxy)cyclohexanimine?
The InChIKey is ZSUBOYVSEGHVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)9-10-14-13-11-7-5-4-6-8-11/h4-10H2,1-3H3.
What are the key properties of N-(3,3-dimethylbutoxy)cyclohexanimine?
N-(3,3-dimethylbutoxy)cyclohexanimine has a molecular weight of 197.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutoxy)cyclohexanimine is sourced from PubChem (CID 59192970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).