6-amino-5,5,6-trimethylhept-1-en-4-one

C10H19NO — CID 116573507

IUPAC6-amino-5,5,6-trimethylhept-1-en-4-one
SMILESC=CCC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C10H19NO/c1-6-7-8(12)9(2,3)10(4,5)11/h6H,1,7,11H2,2-5H3
InChIKeyMUGOFNHZXRBDII-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds4

About 6-amino-5,5,6-trimethylhept-1-en-4-one

6-amino-5,5,6-trimethylhept-1-en-4-one (PubChem CID 116573507) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 6-amino-5,5,6-trimethylhept-1-en-4-one.

Molecular Properties

Compound Name6-amino-5,5,6-trimethylhept-1-en-4-one
PubChem CID116573507
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name6-amino-5,5,6-trimethylhept-1-en-4-one
SMILESC=CCC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C10H19NO/c1-6-7-8(12)9(2,3)10(4,5)11/h6H,1,7,11H2,2-5H3
InChIKeyMUGOFNHZXRBDII-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

5,5-dimethylhept-1-en-4-one
CID 58805574
5-(aminomethyl)-5-methylhept-1-en-4-one
CID 116610754
2-amino-2,3,3-trimethyl-6-methylideneoctan-4-one
CID 116573788
5-(aminomethyl)-5-ethylhept-1-en-4-one
CID 116603694
2-amino-2,3,3,6-tetramethylheptan-4-one
CID 116573551
2-amino-2-methylhept-6-en-3-one
CID 116560102
5-ethoxy-5-methylhept-1-en-4-one
CID 116746804
(213C)pent-4-en-2-one
CID 173180315
3-amino-2,2,3-trimethylbutanamide
CID 65264733
5-methyl-5-pyrrolidin-1-ylhept-1-en-4-one
CID 79069168
2-amino-2-ethylbutanoic acid;but-3-enoic acid
CID 87783840
3-(but-3-enoylamino)-2,2-dimethylpropanoic acid
CID 115427141

Frequently Asked Questions

What is the IUPAC name of 6-amino-5,5,6-trimethylhept-1-en-4-one?
The IUPAC name of 6-amino-5,5,6-trimethylhept-1-en-4-one (CID 116573507) is 6-amino-5,5,6-trimethylhept-1-en-4-one.
What is the SMILES notation for 6-amino-5,5,6-trimethylhept-1-en-4-one?
The canonical SMILES for 6-amino-5,5,6-trimethylhept-1-en-4-one is C=CCC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 6-amino-5,5,6-trimethylhept-1-en-4-one?
The InChIKey is MUGOFNHZXRBDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-7-8(12)9(2,3)10(4,5)11/h6H,1,7,11H2,2-5H3.
What are the key properties of 6-amino-5,5,6-trimethylhept-1-en-4-one?
6-amino-5,5,6-trimethylhept-1-en-4-one has a molecular weight of 169.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5,5,6-trimethylhept-1-en-4-one is sourced from PubChem (CID 116573507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).