2-(3,3-dimethyl-2-propan-2-yliminobutyl)cyclohexan-1-one

C15H27NO — CID 10263565

IUPAC2-(3,3-dimethyl-2-propan-2-yliminobutyl)cyclohexan-1-one
SMILESCC(C)/N=C(/CC1CCCCC1=O)C(C)(C)C
InChIInChI=1S/C15H27NO/c1-11(2)16-14(15(3,4)5)10-12-8-6-7-9-13(12)17/h11-12H,6-10H2,1-5H3/b16-14-
InChIKeyYLFIUWNTKBKYIT-PEZBUJJGSA-N
MW237.39 g/mol
LogP4.03
Rot. Bonds3

About 2-(3,3-dimethyl-2-propan-2-yliminobutyl)cyclohexan-1-one

2-(3,3-dimethyl-2-propan-2-yliminobutyl)cyclohexan-1-one (PubChem CID 10263565) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-propan-2-yliminobutyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-propan-2-yliminobutyl)cyclohexan-1-one
PubChem CID10263565
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-(3,3-dimethyl-2-propan-2-yliminobutyl)cyclohexan-1-one
SMILESCC(C)/N=C(/CC1CCCCC1=O)C(C)(C)C
InChIInChI=1S/C15H27NO/c1-11(2)16-14(15(3,4)5)10-12-8-6-7-9-13(12)17/h11-12H,6-10H2,1-5H3/b16-14-
InChIKeyYLFIUWNTKBKYIT-PEZBUJJGSA-N
XLogP4.03
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxy-2,3-dimethylbutyl)cycloheptan-1-one
CID 114494702
2-(2-hydroxypropyl)cyclohexan-1-one
CID 15557851
2-(2,3-dimethylbut-2-enyl)cyclododecan-1-one
CID 71182369
2-(2-methylprop-2-enyl)cyclotridecan-1-one
CID 164771739
2-methylpropyl 2-[(1S)-2-oxocyclohexyl]acetate
CID 134175982
2-(3-methylbutyl)cyclohexan-1-one
CID 12840280
(2S)-2-(3-methylbutyl)cyclohexan-1-one
CID 101110174
2-(2-oxocyclohexyl)acetate
CID 21196476
copper bis(2-(2-oxocyclohexyl)acetate)
CID 90449787
2-ethylcyclohexan-1-one;formic acid
CID 137364111
2-(3-hydroxy-3-methylbutyl)cycloheptan-1-one
CID 79417135
2-(2-oxoheptyl)cyclohexan-1-one
CID 68655143

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-propan-2-yliminobutyl)cyclohexan-1-one?
The IUPAC name of 2-(3,3-dimethyl-2-propan-2-yliminobutyl)cyclohexan-1-one (CID 10263565) is 2-(3,3-dimethyl-2-propan-2-yliminobutyl)cyclohexan-1-one.
What is the SMILES notation for 2-(3,3-dimethyl-2-propan-2-yliminobutyl)cyclohexan-1-one?
The canonical SMILES for 2-(3,3-dimethyl-2-propan-2-yliminobutyl)cyclohexan-1-one is CC(C)/N=C(/CC1CCCCC1=O)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethyl-2-propan-2-yliminobutyl)cyclohexan-1-one?
The InChIKey is YLFIUWNTKBKYIT-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H27NO/c1-11(2)16-14(15(3,4)5)10-12-8-6-7-9-13(12)17/h11-12H,6-10H2,1-5H3/b16-14-.
What are the key properties of 2-(3,3-dimethyl-2-propan-2-yliminobutyl)cyclohexan-1-one?
2-(3,3-dimethyl-2-propan-2-yliminobutyl)cyclohexan-1-one has a molecular weight of 237.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-propan-2-yliminobutyl)cyclohexan-1-one is sourced from PubChem (CID 10263565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).