5-amino-5-ethyl-2-methylhept-1-en-4-one

C10H19NO — CID 116592784

IUPAC5-amino-5-ethyl-2-methylhept-1-en-4-one
SMILESC=C(C)CC(=O)C(N)(CC)CC
InChIInChI=1S/C10H19NO/c1-5-10(11,6-2)9(12)7-8(3)4/h3,5-7,11H2,1-2,4H3
InChIKeyCPRKNTTUDJCOFP-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.04
Rot. Bonds5

About 5-amino-5-ethyl-2-methylhept-1-en-4-one

5-amino-5-ethyl-2-methylhept-1-en-4-one (PubChem CID 116592784) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-amino-5-ethyl-2-methylhept-1-en-4-one.

Molecular Properties

Compound Name5-amino-5-ethyl-2-methylhept-1-en-4-one
PubChem CID116592784
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-amino-5-ethyl-2-methylhept-1-en-4-one
SMILESC=C(C)CC(=O)C(N)(CC)CC
InChIInChI=1S/C10H19NO/c1-5-10(11,6-2)9(12)7-8(3)4/h3,5-7,11H2,1-2,4H3
InChIKeyCPRKNTTUDJCOFP-UHFFFAOYSA-N
XLogP2.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.04
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

2-hydroxy-2,5-dimethylhex-5-en-3-one
CID 103847177
2-amino-2-ethyl-N-(2-methylprop-2-enyl)butanamide
CID 114617063
5-amino-5-ethyl-2-methylheptan-4-one
CID 116592612
2,5-dimethylhexa-1,5-dien-3-one
CID 20789946
2-amino-2-ethyl-N,N-dimethylbutanamide;hydrochloride
CID 86674742
5-ethyl-2-methyl-5-phenylhept-1-en-4-one
CID 79179964
2,5-dimethyl-2-methylsulfonylhex-5-en-3-one
CID 115780389
2-amino-2-ethylbutanamide;ethane
CID 176999268
3-amino-3-ethyl-2-methylidenehexanoic acid
CID 174850804
3-methylbut-3-enamide;molecular hydrogen
CID 153357956
3-amino-3-ethyl-8-methylnonan-4-one
CID 116592714
dimethyl 2-ethyl-2-(2-methylprop-2-enyl)propanedioate
CID 59309466

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-ethyl-2-methylhept-1-en-4-one?
The IUPAC name of 5-amino-5-ethyl-2-methylhept-1-en-4-one (CID 116592784) is 5-amino-5-ethyl-2-methylhept-1-en-4-one.
What is the SMILES notation for 5-amino-5-ethyl-2-methylhept-1-en-4-one?
The canonical SMILES for 5-amino-5-ethyl-2-methylhept-1-en-4-one is C=C(C)CC(=O)C(N)(CC)CC.
What is the InChIKey of 5-amino-5-ethyl-2-methylhept-1-en-4-one?
The InChIKey is CPRKNTTUDJCOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-10(11,6-2)9(12)7-8(3)4/h3,5-7,11H2,1-2,4H3.
What are the key properties of 5-amino-5-ethyl-2-methylhept-1-en-4-one?
5-amino-5-ethyl-2-methylhept-1-en-4-one has a molecular weight of 169.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-ethyl-2-methylhept-1-en-4-one is sourced from PubChem (CID 116592784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).