2-amino-2-methylhept-6-en-3-one

C8H15NO — CID 116560102

IUPAC2-amino-2-methylhept-6-en-3-one
SMILESC=CCCC(=O)C(C)(C)N
InChIInChI=1S/C8H15NO/c1-4-5-6-7(10)8(2,3)9/h4H,1,5-6,9H2,2-3H3
InChIKeyXKVOONFPHCKNDF-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.26
Rot. Bonds4

About 2-amino-2-methylhept-6-en-3-one

2-amino-2-methylhept-6-en-3-one (PubChem CID 116560102) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-amino-2-methylhept-6-en-3-one.

Molecular Properties

Compound Name2-amino-2-methylhept-6-en-3-one
PubChem CID116560102
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-amino-2-methylhept-6-en-3-one
SMILESC=CCCC(=O)C(C)(C)N
InChIInChI=1S/C8H15NO/c1-4-5-6-7(10)8(2,3)9/h4H,1,5-6,9H2,2-3H3
InChIKeyXKVOONFPHCKNDF-UHFFFAOYSA-N
XLogP1.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-2-methylhept-6-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)-2-methylhept-6-en-3-one
CID 79047988
2,3,3-trimethylocta-1,7-dien-4-one
CID 138560094
2-methyl-2-piperazin-1-ylhept-6-en-3-one
CID 116599139
1-fluoro-3,3-bis(2-fluoroacetyl)oct-7-ene-2,4-dione
CID 88614750
2-amino-2,6-dimethylheptan-3-one
CID 116560063
hydroxymethyl pent-4-enoate
CID 175918381
(dimethylamino)methyl 2-methylidenehex-5-enoate;hydrochloride
CID 173004209
tert-butyl carbamate;pent-4-enoic acid
CID 142994307
ethyl 2-methylidenehex-5-enoate
CID 10855685
2-amino-2-methylpentadecan-3-one
CID 116560229
6-amino-5,5,6-trimethylhept-1-en-4-one
CID 116573507
1-hydroxyhept-6-en-3-one
CID 152521380

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylhept-6-en-3-one?
The IUPAC name of 2-amino-2-methylhept-6-en-3-one (CID 116560102) is 2-amino-2-methylhept-6-en-3-one.
What is the SMILES notation for 2-amino-2-methylhept-6-en-3-one?
The canonical SMILES for 2-amino-2-methylhept-6-en-3-one is C=CCCC(=O)C(C)(C)N.
What is the InChIKey of 2-amino-2-methylhept-6-en-3-one?
The InChIKey is XKVOONFPHCKNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-6-7(10)8(2,3)9/h4H,1,5-6,9H2,2-3H3.
What are the key properties of 2-amino-2-methylhept-6-en-3-one?
2-amino-2-methylhept-6-en-3-one has a molecular weight of 141.21 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylhept-6-en-3-one is sourced from PubChem (CID 116560102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).