4-(dimethylamino)-2-methylhept-6-en-3-one

C10H19NO — CID 10821021

IUPAC4-(dimethylamino)-2-methylhept-6-en-3-one
SMILESC=CCC(C(=O)C(C)C)N(C)C
InChIInChI=1S/C10H19NO/c1-6-7-9(11(4)5)10(12)8(2)3/h6,8-9H,1,7H2,2-5H3
InChIKeyGFYDAFAYALNMJX-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds5

About 4-(dimethylamino)-2-methylhept-6-en-3-one

4-(dimethylamino)-2-methylhept-6-en-3-one (PubChem CID 10821021) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methylhept-6-en-3-one.

Molecular Properties

Compound Name4-(dimethylamino)-2-methylhept-6-en-3-one
PubChem CID10821021
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(dimethylamino)-2-methylhept-6-en-3-one
SMILESC=CCC(C(=O)C(C)C)N(C)C
InChIInChI=1S/C10H19NO/c1-6-7-9(11(4)5)10(12)8(2)3/h6,8-9H,1,7H2,2-5H3
InChIKeyGFYDAFAYALNMJX-UHFFFAOYSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pent-4-en-2-ol;urea
CID 88650571
2-(dimethylamino)-4-methylpentan-3-one
CID 22983306
ethyl (2S)-2-(dihydroxyamino)pent-4-enoate
CID 87282808
methyl 2-(dimethylamino)octa-4,7-dienoate
CID 71318195
4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one
CID 159039926
2-methyl-N,N-di(propan-2-yl)pent-4-enamide
CID 13197575
N,N-bis(pent-4-en-2-yl)prop-2-enamide
CID 88606180
(2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione
CID 101163136
(2S)-2-[butyl(formyl)amino]pent-4-enoic acid
CID 143411974
(2S)-2-[but-3-enyl(propan-2-yl)amino]-1-cyclohexyl-4-methylpentan-3-one
CID 171575970
(4S)-4-[(R)-hydroxy(phenyl)methyl]-2-methylhept-6-en-3-one
CID 101163130
[4,8-dimethyl-6-[methyl(propan-2-yl)amino]-7-oxonon-1-en-5-yl] 2-(methylamino)acetate
CID 23594696

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methylhept-6-en-3-one?
The IUPAC name of 4-(dimethylamino)-2-methylhept-6-en-3-one (CID 10821021) is 4-(dimethylamino)-2-methylhept-6-en-3-one.
What is the SMILES notation for 4-(dimethylamino)-2-methylhept-6-en-3-one?
The canonical SMILES for 4-(dimethylamino)-2-methylhept-6-en-3-one is C=CCC(C(=O)C(C)C)N(C)C.
What is the InChIKey of 4-(dimethylamino)-2-methylhept-6-en-3-one?
The InChIKey is GFYDAFAYALNMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-7-9(11(4)5)10(12)8(2)3/h6,8-9H,1,7H2,2-5H3.
What are the key properties of 4-(dimethylamino)-2-methylhept-6-en-3-one?
4-(dimethylamino)-2-methylhept-6-en-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methylhept-6-en-3-one is sourced from PubChem (CID 10821021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).