4-[di(propan-2-yl)amino]cyclohexan-1-one

C12H23NO — CID 131877155

IUPAC4-[di(propan-2-yl)amino]cyclohexan-1-one
SMILESCC(C)N(C(C)C)C1CCC(=O)CC1
InChIInChI=1S/C12H23NO/c1-9(2)13(10(3)4)11-5-7-12(14)8-6-11/h9-11H,5-8H2,1-4H3
InChIKeyCEKSWCYRFLZAAK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.62
Rot. Bonds3

About 4-[di(propan-2-yl)amino]cyclohexan-1-one

4-[di(propan-2-yl)amino]cyclohexan-1-one (PubChem CID 131877155) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-[di(propan-2-yl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[di(propan-2-yl)amino]cyclohexan-1-one
PubChem CID131877155
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-[di(propan-2-yl)amino]cyclohexan-1-one
SMILESCC(C)N(C(C)C)C1CCC(=O)CC1
InChIInChI=1S/C12H23NO/c1-9(2)13(10(3)4)11-5-7-12(14)8-6-11/h9-11H,5-8H2,1-4H3
InChIKeyCEKSWCYRFLZAAK-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[di(propan-2-yl)amino]cyclohexan-1-one?
The IUPAC name of 4-[di(propan-2-yl)amino]cyclohexan-1-one (CID 131877155) is 4-[di(propan-2-yl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[di(propan-2-yl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[di(propan-2-yl)amino]cyclohexan-1-one is CC(C)N(C(C)C)C1CCC(=O)CC1.
What is the InChIKey of 4-[di(propan-2-yl)amino]cyclohexan-1-one?
The InChIKey is CEKSWCYRFLZAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)13(10(3)4)11-5-7-12(14)8-6-11/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-[di(propan-2-yl)amino]cyclohexan-1-one?
4-[di(propan-2-yl)amino]cyclohexan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[di(propan-2-yl)amino]cyclohexan-1-one is sourced from PubChem (CID 131877155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).