7-amino-2,9,9-trimethyldec-1-en-5-one

C13H25NO — CID 114478091

IUPAC7-amino-2,9,9-trimethyldec-1-en-5-one
SMILESC=C(C)CCC(=O)CC(N)CC(C)(C)C
InChIInChI=1S/C13H25NO/c1-10(2)6-7-12(15)8-11(14)9-13(3,4)5/h11H,1,6-9,14H2,2-5H3
InChIKeyCBUPAIAHFZQVRR-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.07
Rot. Bonds6

About 7-amino-2,9,9-trimethyldec-1-en-5-one

7-amino-2,9,9-trimethyldec-1-en-5-one (PubChem CID 114478091) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 7-amino-2,9,9-trimethyldec-1-en-5-one.

Molecular Properties

Compound Name7-amino-2,9,9-trimethyldec-1-en-5-one
PubChem CID114478091
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name7-amino-2,9,9-trimethyldec-1-en-5-one
SMILESC=C(C)CCC(=O)CC(N)CC(C)(C)C
InChIInChI=1S/C13H25NO/c1-10(2)6-7-12(15)8-11(14)9-13(3,4)5/h11H,1,6-9,14H2,2-5H3
InChIKeyCBUPAIAHFZQVRR-UHFFFAOYSA-N
XLogP3.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.07
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

1-(6-Amino-4-fluoro-1,3-dimethylcyclohex-2-en-1-yl)ethanone
CID 164139628
4-(Tert-butylamino)-6,6-dimethyl-5-methylideneheptan-2-one
CID 20806815
2-Methylene-6,6-dimethyl-1-[3-amino-butanoyl]-cyclohexane
CID 21569478
(3S)-3-amino-2-methyl-5-methylidenenonan-4-one;hydrochloride
CID 87812199
(3S)-3-amino-2-methyl-5-methylidenenonan-4-one
CID 87812200
3-Amino-2-methyl-5-methylidenenonan-4-one;hydrochloride
CID 87812202
3-Amino-2-methyl-5-methylidenenonan-4-one
CID 87812203
(10R)-10-amino-11,11-dimethyl-7-methylidenedodecan-2-one
CID 88270806
(4R)-4-amino-2,10-dimethyl-6-methylideneundecan-5-one
CID 88972149
(5S)-5-amino-2,6-dimethyloct-1-en-4-one
CID 89386562
5-Amino-2,6-dimethyloct-1-en-4-one
CID 116552850
5-Amino-7-methyl-6-methylideneoctan-2-one
CID 121258895

Frequently Asked Questions

What is the IUPAC name of 7-amino-2,9,9-trimethyldec-1-en-5-one?
The IUPAC name of 7-amino-2,9,9-trimethyldec-1-en-5-one (CID 114478091) is 7-amino-2,9,9-trimethyldec-1-en-5-one.
What is the SMILES notation for 7-amino-2,9,9-trimethyldec-1-en-5-one?
The canonical SMILES for 7-amino-2,9,9-trimethyldec-1-en-5-one is C=C(C)CCC(=O)CC(N)CC(C)(C)C.
What is the InChIKey of 7-amino-2,9,9-trimethyldec-1-en-5-one?
The InChIKey is CBUPAIAHFZQVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)6-7-12(15)8-11(14)9-13(3,4)5/h11H,1,6-9,14H2,2-5H3.
What are the key properties of 7-amino-2,9,9-trimethyldec-1-en-5-one?
7-amino-2,9,9-trimethyldec-1-en-5-one has a molecular weight of 211.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,9,9-trimethyldec-1-en-5-one is sourced from PubChem (CID 114478091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).