6-(methylideneamino)heptan-2-one

C8H15NO — CID 20609407

IUPAC6-(methylideneamino)heptan-2-one
SMILESC=NC(C)CCCC(C)=O
InChIInChI=1S/C8H15NO/c1-7(9-3)5-4-6-8(2)10/h7H,3-6H2,1-2H3
InChIKeyJHVCDXRCARJLOB-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.83
Rot. Bonds5

About 6-(methylideneamino)heptan-2-one

6-(methylideneamino)heptan-2-one (PubChem CID 20609407) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 6-(methylideneamino)heptan-2-one.

Molecular Properties

Compound Name6-(methylideneamino)heptan-2-one
PubChem CID20609407
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name6-(methylideneamino)heptan-2-one
SMILESC=NC(C)CCCC(C)=O
InChIInChI=1S/C8H15NO/c1-7(9-3)5-4-6-8(2)10/h7H,3-6H2,1-2H3
InChIKeyJHVCDXRCARJLOB-UHFFFAOYSA-N
XLogP1.83
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-oxoheptanal
CID 14561323
3-methyloctane-2,7-dione
CID 13063377
6-methylnon-8-en-2-one
CID 87772414
3-(methylideneamino)butan-1-ol
CID 72516607
18-methylnonadecan-2-one
CID 90921447
8-methylnonan-2-one
CID 528744
6,10-dimethyldodecan-2-one
CID 14707953
(6S)-6,10-dimethyltridecan-2-one
CID 87377837
(6S,7R)-6,7-dihydroxynon-8-en-2-one
CID 59003863
pentadecane-2,14-dione
CID 10966641
docosane-2,21-dione
CID 537416
benzyl (2R)-2-(methylideneamino)-6-oxoheptanoate
CID 91141870

Frequently Asked Questions

What is the IUPAC name of 6-(methylideneamino)heptan-2-one?
The IUPAC name of 6-(methylideneamino)heptan-2-one (CID 20609407) is 6-(methylideneamino)heptan-2-one.
What is the SMILES notation for 6-(methylideneamino)heptan-2-one?
The canonical SMILES for 6-(methylideneamino)heptan-2-one is C=NC(C)CCCC(C)=O.
What is the InChIKey of 6-(methylideneamino)heptan-2-one?
The InChIKey is JHVCDXRCARJLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(9-3)5-4-6-8(2)10/h7H,3-6H2,1-2H3.
What are the key properties of 6-(methylideneamino)heptan-2-one?
6-(methylideneamino)heptan-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylideneamino)heptan-2-one is sourced from PubChem (CID 20609407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).