4-(ethylamino)-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one

C16H31NO — CID 71154643

IUPAC4-(ethylamino)-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one
SMILESCCNC(CCC1(C)CCCC1)C(=O)C(C)(C)C
InChIInChI=1S/C16H31NO/c1-6-17-13(14(18)15(2,3)4)9-12-16(5)10-7-8-11-16/h13,17H,6-12H2,1-5H3
InChIKeyRMYOGVPOHUZPJU-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.94
Rot. Bonds6

About 4-(ethylamino)-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one

4-(ethylamino)-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one (PubChem CID 71154643) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-(ethylamino)-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one.

Molecular Properties

Compound Name4-(ethylamino)-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one
PubChem CID71154643
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-(ethylamino)-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one
SMILESCCNC(CCC1(C)CCCC1)C(=O)C(C)(C)C
InChIInChI=1S/C16H31NO/c1-6-17-13(14(18)15(2,3)4)9-12-16(5)10-7-8-11-16/h13,17H,6-12H2,1-5H3
InChIKeyRMYOGVPOHUZPJU-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one
CID 142239634
4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane
CID 142239702
methyl 2-[(1-methylcyclopentyl)methylamino]butanoate
CID 115353388
2-(2,2-dimethylpropanoylamino)-3-(1-methylcyclopentyl)propanoic acid
CID 174649408
3-(1-methylcyclopentyl)propanoyl iodide
CID 134485203
1-(2,2-dimethylcyclohexyl)-4,4-dimethyl-2-(propan-2-ylamino)pentan-3-one
CID 163691218
1-methyl-1-(3-methylhexyl)cyclohexane
CID 154522496
1-ethyl-1,6-dimethyl-6-(3-methylbutyl)cycloundecane
CID 91393597
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate
CID 63055247
4-(tert-butylamino)-6-cyclopentyl-2,2-dimethylhexan-3-one;methane
CID 161063092
8-amino-4-(aminomethylamino)-2,2-dimethyloctan-3-one
CID 170794418
2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 71154738

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one?
The IUPAC name of 4-(ethylamino)-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one (CID 71154643) is 4-(ethylamino)-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one.
What is the SMILES notation for 4-(ethylamino)-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one?
The canonical SMILES for 4-(ethylamino)-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one is CCNC(CCC1(C)CCCC1)C(=O)C(C)(C)C.
What is the InChIKey of 4-(ethylamino)-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one?
The InChIKey is RMYOGVPOHUZPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-6-17-13(14(18)15(2,3)4)9-12-16(5)10-7-8-11-16/h13,17H,6-12H2,1-5H3.
What are the key properties of 4-(ethylamino)-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one?
4-(ethylamino)-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one has a molecular weight of 253.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2,2-dimethyl-6-(1-methylcyclopentyl)hexan-3-one is sourced from PubChem (CID 71154643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).