2-methyl-1-[1-(propan-2-ylamino)cyclohexyl]propan-1-one

C13H25NO — CID 22893117

IUPAC2-methyl-1-[1-(propan-2-ylamino)cyclohexyl]propan-1-one
SMILESCC(C)NC1(C(=O)C(C)C)CCCCC1
InChIInChI=1S/C13H25NO/c1-10(2)12(15)13(14-11(3)4)8-6-5-7-9-13/h10-11,14H,5-9H2,1-4H3
InChIKeyQPCFTYJRWXCDCA-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.91
Rot. Bonds4

About 2-methyl-1-[1-(propan-2-ylamino)cyclohexyl]propan-1-one

2-methyl-1-[1-(propan-2-ylamino)cyclohexyl]propan-1-one (PubChem CID 22893117) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methyl-1-[1-(propan-2-ylamino)cyclohexyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-(propan-2-ylamino)cyclohexyl]propan-1-one
PubChem CID22893117
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-methyl-1-[1-(propan-2-ylamino)cyclohexyl]propan-1-one
SMILESCC(C)NC1(C(=O)C(C)C)CCCCC1
InChIInChI=1S/C13H25NO/c1-10(2)12(15)13(14-11(3)4)8-6-5-7-9-13/h10-11,14H,5-9H2,1-4H3
InChIKeyQPCFTYJRWXCDCA-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(propan-2-ylamino)cyclohexyl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-(propan-2-ylamino)cyclohexyl]propan-1-one (CID 22893117) is 2-methyl-1-[1-(propan-2-ylamino)cyclohexyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-(propan-2-ylamino)cyclohexyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-(propan-2-ylamino)cyclohexyl]propan-1-one is CC(C)NC1(C(=O)C(C)C)CCCCC1.
What is the InChIKey of 2-methyl-1-[1-(propan-2-ylamino)cyclohexyl]propan-1-one?
The InChIKey is QPCFTYJRWXCDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)12(15)13(14-11(3)4)8-6-5-7-9-13/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 2-methyl-1-[1-(propan-2-ylamino)cyclohexyl]propan-1-one?
2-methyl-1-[1-(propan-2-ylamino)cyclohexyl]propan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(propan-2-ylamino)cyclohexyl]propan-1-one is sourced from PubChem (CID 22893117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).