2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one

C13H25NO — CID 116566074

IUPAC2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one
SMILESCCNC(C)(C)C(=O)C1CCCC(C)C1
InChIInChI=1S/C13H25NO/c1-5-14-13(3,4)12(15)11-8-6-7-10(2)9-11/h10-11,14H,5-9H2,1-4H3
InChIKeyDFPKNCOVDAKJIN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.77
Rot. Bonds4

About 2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one

2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one (PubChem CID 116566074) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one
PubChem CID116566074
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one
SMILESCCNC(C)(C)C(=O)C1CCCC(C)C1
InChIInChI=1S/C13H25NO/c1-5-14-13(3,4)12(15)11-8-6-7-10(2)9-11/h10-11,14H,5-9H2,1-4H3
InChIKeyDFPKNCOVDAKJIN-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one?
The IUPAC name of 2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one (CID 116566074) is 2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one.
What is the SMILES notation for 2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one?
The canonical SMILES for 2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one is CCNC(C)(C)C(=O)C1CCCC(C)C1.
What is the InChIKey of 2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one?
The InChIKey is DFPKNCOVDAKJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-14-13(3,4)12(15)11-8-6-7-10(2)9-11/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one?
2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one is sourced from PubChem (CID 116566074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).