6-amino-3,7-dimethylnon-7-en-4-one

C11H21NO — CID 90949402

IUPAC6-amino-3,7-dimethylnon-7-en-4-one
SMILESCC=C(C)C(N)CC(=O)C(C)CC
InChIInChI=1S/C11H21NO/c1-5-8(3)10(12)7-11(13)9(4)6-2/h5,9-10H,6-7,12H2,1-4H3
InChIKeyIXCSHPTYCFPYRS-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.29
Rot. Bonds5

About 6-amino-3,7-dimethylnon-7-en-4-one

6-amino-3,7-dimethylnon-7-en-4-one (PubChem CID 90949402) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 6-amino-3,7-dimethylnon-7-en-4-one.

Molecular Properties

Compound Name6-amino-3,7-dimethylnon-7-en-4-one
PubChem CID90949402
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name6-amino-3,7-dimethylnon-7-en-4-one
SMILESCC=C(C)C(N)CC(=O)C(C)CC
InChIInChI=1S/C11H21NO/c1-5-8(3)10(12)7-11(13)9(4)6-2/h5,9-10H,6-7,12H2,1-4H3
InChIKeyIXCSHPTYCFPYRS-UHFFFAOYSA-N
XLogP2.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 46937360
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CID 164139628
3-Amino-1-(2,6,6-trimethyl-cyclohex-3-enyl)-butan-1-one
CID 21947123
2-Amino-4,7,7-trimethylcyclohept-3-en-1-one
CID 22101535
1-[(1R,6S)-6-aminocyclohex-3-en-1-yl]ethanone
CID 59946334
1-[(1S,6S)-6-aminocyclohex-3-en-1-yl]ethanone
CID 59946337
1-[(1R,6R)-6-aminocyclohex-3-en-1-yl]ethanone
CID 59946345
1-(6-Aminocyclohex-3-en-1-yl)ethanone
CID 59946358
1-(1-Amino-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)propan-1-one
CID 68012888
1-[(4S)-4-[(3S)-3-aminobutyl]cyclohexen-1-yl]propan-1-one
CID 68341167
2-(1-Aminoethyl)-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 68982156
2-(1-Aminoethyl)-4,4-dimethylcyclohex-2-en-1-one
CID 68982704

Frequently Asked Questions

What is the IUPAC name of 6-amino-3,7-dimethylnon-7-en-4-one?
The IUPAC name of 6-amino-3,7-dimethylnon-7-en-4-one (CID 90949402) is 6-amino-3,7-dimethylnon-7-en-4-one.
What is the SMILES notation for 6-amino-3,7-dimethylnon-7-en-4-one?
The canonical SMILES for 6-amino-3,7-dimethylnon-7-en-4-one is CC=C(C)C(N)CC(=O)C(C)CC.
What is the InChIKey of 6-amino-3,7-dimethylnon-7-en-4-one?
The InChIKey is IXCSHPTYCFPYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-8(3)10(12)7-11(13)9(4)6-2/h5,9-10H,6-7,12H2,1-4H3.
What are the key properties of 6-amino-3,7-dimethylnon-7-en-4-one?
6-amino-3,7-dimethylnon-7-en-4-one has a molecular weight of 183.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,7-dimethylnon-7-en-4-one is sourced from PubChem (CID 90949402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).