4-amino-2,4-dimethylhept-1-en-3-one

C9H17NO — CID 88989754

IUPAC4-amino-2,4-dimethylhept-1-en-3-one
SMILESC=C(C)C(=O)C(C)(N)CCC
InChIInChI=1S/C9H17NO/c1-5-6-9(4,10)8(11)7(2)3/h2,5-6,10H2,1,3-4H3
InChIKeyRZGOLWVQNROOAF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.65
Rot. Bonds4

About 4-amino-2,4-dimethylhept-1-en-3-one

4-amino-2,4-dimethylhept-1-en-3-one (PubChem CID 88989754) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-amino-2,4-dimethylhept-1-en-3-one.

Molecular Properties

Compound Name4-amino-2,4-dimethylhept-1-en-3-one
PubChem CID88989754
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-amino-2,4-dimethylhept-1-en-3-one
SMILESC=C(C)C(=O)C(C)(N)CCC
InChIInChI=1S/C9H17NO/c1-5-6-9(4,10)8(11)7(2)3/h2,5-6,10H2,1,3-4H3
InChIKeyRZGOLWVQNROOAF-UHFFFAOYSA-N
XLogP1.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminopropan-2-yl)-4-ethyl-2-methylhexadec-1-en-3-one;hydrobromide
CID 173208811
3,3-dimethylhexyl 2-methylprop-2-enoate
CID 59157270
3-amino-3-ethyl-2-methylidenehexanoic acid
CID 174850804
2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982
2,4-dimethylhept-1-en-4-amine
CID 152808962
2-amino-2-methyl-1-(2-methylthiophen-3-yl)pentan-1-one
CID 102839336
2-amino-2-methyl-N-propan-2-yl-N-propylpentanamide
CID 60848392
2-amino-N,2-dimethyl-N-pentylpentanamide
CID 60848756
4-ethoxy-2,4-dimethylpent-1-en-3-one
CID 116710261
2-amino-N-(cyclopentylmethyl)-N,2-dimethylpentanamide;hydrochloride
CID 119759251
2-amino-N-(2-hydroxyethyl)-2-methylpentanamide
CID 60847863
2-amino-N-(2-hydroxy-2-methylpropyl)-2-methylpentanamide
CID 65107360

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,4-dimethylhept-1-en-3-one?
The IUPAC name of 4-amino-2,4-dimethylhept-1-en-3-one (CID 88989754) is 4-amino-2,4-dimethylhept-1-en-3-one.
What is the SMILES notation for 4-amino-2,4-dimethylhept-1-en-3-one?
The canonical SMILES for 4-amino-2,4-dimethylhept-1-en-3-one is C=C(C)C(=O)C(C)(N)CCC.
What is the InChIKey of 4-amino-2,4-dimethylhept-1-en-3-one?
The InChIKey is RZGOLWVQNROOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-9(4,10)8(11)7(2)3/h2,5-6,10H2,1,3-4H3.
What are the key properties of 4-amino-2,4-dimethylhept-1-en-3-one?
4-amino-2,4-dimethylhept-1-en-3-one has a molecular weight of 155.24 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,4-dimethylhept-1-en-3-one is sourced from PubChem (CID 88989754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).