6-amino-1-cyclopropyl-4-ethylhexan-1-one

C11H21NO — CID 116578317

IUPAC6-amino-1-cyclopropyl-4-ethylhexan-1-one
SMILESCCC(CCN)CCC(=O)C1CC1
InChIInChI=1S/C11H21NO/c1-2-9(7-8-12)3-6-11(13)10-4-5-10/h9-10H,2-8,12H2,1H3
InChIKeyWWEHDQAODZTDLX-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.12
Rot. Bonds7

About 6-amino-1-cyclopropyl-4-ethylhexan-1-one

6-amino-1-cyclopropyl-4-ethylhexan-1-one (PubChem CID 116578317) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-4-ethylhexan-1-one.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-4-ethylhexan-1-one
PubChem CID116578317
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name6-amino-1-cyclopropyl-4-ethylhexan-1-one
SMILESCCC(CCN)CCC(=O)C1CC1
InChIInChI=1S/C11H21NO/c1-2-9(7-8-12)3-6-11(13)10-4-5-10/h9-10H,2-8,12H2,1H3
InChIKeyWWEHDQAODZTDLX-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-1-cycloheptyl-4-ethylhexan-1-one
CID 116578325
4-(2-aminoethyl)-1-cyclohexylheptan-1-one
CID 116582773
8-amino-6-ethyloctan-3-one
CID 116578085
6-amino-N-[(1R)-1-cyclopentylethyl]-4-ethylhexanamide
CID 81390852
6-amino-4-ethyl-1-[4-(1-hydroxyethyl)piperidin-1-yl]hexan-1-one
CID 106835869
1-cyclopropyl-4-hydroxypentan-1-one
CID 15726184
6-amino-4-ethyl-1-(4-hydroxy-3-methylpiperidin-1-yl)hexan-1-one
CID 114678379
6-amino-4-ethyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide
CID 79362196
1-(4-butanoylcyclohexyl)butan-1-one
CID 21294983
6-amino-N-ethoxy-4-ethylhexanamide
CID 64974724
6-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-4-ethylhexanamide
CID 81039232
3-(aminomethyl)-1-cyclohexylpentan-1-one
CID 116596160

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-cyclopropyl-4-ethylhexan-1-one?
The IUPAC name of 6-amino-1-cyclopropyl-4-ethylhexan-1-one (CID 116578317) is 6-amino-1-cyclopropyl-4-ethylhexan-1-one.
What is the SMILES notation for 6-amino-1-cyclopropyl-4-ethylhexan-1-one?
The canonical SMILES for 6-amino-1-cyclopropyl-4-ethylhexan-1-one is CCC(CCN)CCC(=O)C1CC1.
What is the InChIKey of 6-amino-1-cyclopropyl-4-ethylhexan-1-one?
The InChIKey is WWEHDQAODZTDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-9(7-8-12)3-6-11(13)10-4-5-10/h9-10H,2-8,12H2,1H3.
What are the key properties of 6-amino-1-cyclopropyl-4-ethylhexan-1-one?
6-amino-1-cyclopropyl-4-ethylhexan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-4-ethylhexan-1-one is sourced from PubChem (CID 116578317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).