1-amino-2,2,6-trimethylhept-6-en-3-one

C10H19NO — CID 114478039

IUPAC1-amino-2,2,6-trimethylhept-6-en-3-one
SMILESC=C(C)CCC(=O)C(C)(C)CN
InChIInChI=1S/C10H19NO/c1-8(2)5-6-9(12)10(3,4)7-11/h1,5-7,11H2,2-4H3
InChIKeyRIKAEHZSIKPCPG-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds5

About 1-amino-2,2,6-trimethylhept-6-en-3-one

1-amino-2,2,6-trimethylhept-6-en-3-one (PubChem CID 114478039) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-amino-2,2,6-trimethylhept-6-en-3-one.

Molecular Properties

Compound Name1-amino-2,2,6-trimethylhept-6-en-3-one
PubChem CID114478039
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-amino-2,2,6-trimethylhept-6-en-3-one
SMILESC=C(C)CCC(=O)C(C)(C)CN
InChIInChI=1S/C10H19NO/c1-8(2)5-6-9(12)10(3,4)7-11/h1,5-7,11H2,2-4H3
InChIKeyRIKAEHZSIKPCPG-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.90
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

2-(dimethylamino)-2,6-dimethylhept-6-en-3-one
CID 114473625
1-amino-2,2,7-trimethyloctan-3-one
CID 116600063
ethyl 2,2-dimethyl-4-(3-methylbut-3-enoxy)-3-oxobutanoate
CID 114470322
4-amino-1-ethoxy-3,3-dimethylbutan-2-one
CID 116599948
3-amino-2,7-dimethyloct-7-en-4-one
CID 114477853
3-amino-2,2-dimethylpropanamide;dihydrochloride
CID 172704051
acetic acid;2-aminoethane-1,1,1-triol
CID 87882010
7-amino-2,9,9-trimethyldec-1-en-5-one
CID 114478091
3,3,5-trimethylhex-5-en-2-one
CID 22159646
2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene
CID 88686201
2,5-dimethylhex-5-en-2-amine
CID 130178475
silyl 2,2,5-trimethylhex-5-enoate
CID 173274643

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,2,6-trimethylhept-6-en-3-one?
The IUPAC name of 1-amino-2,2,6-trimethylhept-6-en-3-one (CID 114478039) is 1-amino-2,2,6-trimethylhept-6-en-3-one.
What is the SMILES notation for 1-amino-2,2,6-trimethylhept-6-en-3-one?
The canonical SMILES for 1-amino-2,2,6-trimethylhept-6-en-3-one is C=C(C)CCC(=O)C(C)(C)CN.
What is the InChIKey of 1-amino-2,2,6-trimethylhept-6-en-3-one?
The InChIKey is RIKAEHZSIKPCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)5-6-9(12)10(3,4)7-11/h1,5-7,11H2,2-4H3.
What are the key properties of 1-amino-2,2,6-trimethylhept-6-en-3-one?
1-amino-2,2,6-trimethylhept-6-en-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,2,6-trimethylhept-6-en-3-one is sourced from PubChem (CID 114478039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).