5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one

C13H25NO — CID 79867013

IUPAC5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCCN(CC1CCC(C)(C)C1=O)C(C)C
InChIInChI=1S/C13H25NO/c1-6-14(10(2)3)9-11-7-8-13(4,5)12(11)15/h10-11H,6-9H2,1-5H3
InChIKeyZGWQIPVVOGLDKT-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds4

About 5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one

5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one (PubChem CID 79867013) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one
PubChem CID79867013
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCCN(CC1CCC(C)(C)C1=O)C(C)C
InChIInChI=1S/C13H25NO/c1-6-14(10(2)3)9-11-7-8-13(4,5)12(11)15/h10-11H,6-9H2,1-5H3
InChIKeyZGWQIPVVOGLDKT-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one with MolForge

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Related Compounds

5-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866669
5-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866129
5-[[2-hydroxyethyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79866535
5-[[ethyl(2-methoxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79867026
5-[[butyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79867021
6-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-one
CID 104554486
2,2-dimethyl-6-[[methyl(4-methylpentan-2-yl)amino]methyl]cyclohexan-1-one
CID 79852813
6-[(dimethylamino)methyl]-2,2-dimethylcyclohexan-1-one
CID 69350867
5-[(N-ethyl-3-fluoroanilino)methyl]-2,2-dimethylcyclopentan-1-one
CID 79865978
5-[[5-hydroxypentyl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 107204487
2,2-dimethyl-6-[[methyl(propyl)amino]methyl]cyclohexan-1-one
CID 79852451
5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one
CID 79866688

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
The IUPAC name of 5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one (CID 79867013) is 5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for 5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for 5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one is CCN(CC1CCC(C)(C)C1=O)C(C)C.
What is the InChIKey of 5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
The InChIKey is ZGWQIPVVOGLDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-14(10(2)3)9-11-7-8-13(4,5)12(11)15/h10-11H,6-9H2,1-5H3.
What are the key properties of 5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one?
5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(propan-2-yl)amino]methyl]-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 79867013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).