2-(ditert-butylamino)cyclohex-2-en-1-one

C14H25NO — CID 59979799

IUPAC2-(ditert-butylamino)cyclohex-2-en-1-one
SMILESCC(C)(C)N(C1=CCCCC1=O)C(C)(C)C
InChIInChI=1S/C14H25NO/c1-13(2,3)15(14(4,5)6)11-9-7-8-10-12(11)16/h9H,7-8,10H2,1-6H3
InChIKeyMYXACXHTIKJCFR-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.52
Rot. Bonds1

About 2-(ditert-butylamino)cyclohex-2-en-1-one

2-(ditert-butylamino)cyclohex-2-en-1-one (PubChem CID 59979799) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(ditert-butylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(ditert-butylamino)cyclohex-2-en-1-one
PubChem CID59979799
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-(ditert-butylamino)cyclohex-2-en-1-one
SMILESCC(C)(C)N(C1=CCCCC1=O)C(C)(C)C
InChIInChI=1S/C14H25NO/c1-13(2,3)15(14(4,5)6)11-9-7-8-10-12(11)16/h9H,7-8,10H2,1-6H3
InChIKeyMYXACXHTIKJCFR-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ditert-butylamino)cyclopent-2-en-1-one
CID 59979795
tert-butyl-(cyclopenten-1-yl)-dimethylsilane
CID 150753521
2-chlorocyclohex-2-en-1-one
CID 10866369
N-acetyl-N-(5-oxocyclopenten-1-yl)acetamide
CID 23264533
(2E,6Z)-2,6-dimethylcyclodeca-2,6-dien-1-one
CID 131886364
(6-oxocyclohexen-1-yl)methyl 2,2-dimethylpropanoate
CID 24975526
2-[2-(4-tert-butylphenyl)ethynyl]cyclohex-2-en-1-one
CID 169489331
1-tert-butylcyclopentene
CID 13414410
2-chloro-N-(6-oxocyclohexen-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 23238867
(4aS)-4a-methyl-2,3,4,5,6,7-hexahydronaphthalen-1-one
CID 121224258
2-(dimethoxymethyl)cyclohex-2-en-1-one
CID 130030381
(2E,8E,10Z)-2-methylcyclotetradeca-2,8,10-trien-1-one
CID 101475135

Frequently Asked Questions

What is the IUPAC name of 2-(ditert-butylamino)cyclohex-2-en-1-one?
The IUPAC name of 2-(ditert-butylamino)cyclohex-2-en-1-one (CID 59979799) is 2-(ditert-butylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(ditert-butylamino)cyclohex-2-en-1-one?
The canonical SMILES for 2-(ditert-butylamino)cyclohex-2-en-1-one is CC(C)(C)N(C1=CCCCC1=O)C(C)(C)C.
What is the InChIKey of 2-(ditert-butylamino)cyclohex-2-en-1-one?
The InChIKey is MYXACXHTIKJCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-13(2,3)15(14(4,5)6)11-9-7-8-10-12(11)16/h9H,7-8,10H2,1-6H3.
What are the key properties of 2-(ditert-butylamino)cyclohex-2-en-1-one?
2-(ditert-butylamino)cyclohex-2-en-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ditert-butylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 59979799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).