6-amino-2-methylhex-2-enamide;hydrochloride

C7H15ClN2O — CID 86600969

IUPAC6-amino-2-methylhex-2-enamide;hydrochloride
SMILESCC(=CCCCN)C(N)=O.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-6(7(9)10)4-2-3-5-8;/h4H,2-3,5,8H2,1H3,(H2,9,10);1H
InChIKeyZSGKACGSECORFL-UHFFFAOYSA-N
MW178.66 g/mol
LogP0.58
Rot. Bonds4

About 6-amino-2-methylhex-2-enamide;hydrochloride

6-amino-2-methylhex-2-enamide;hydrochloride (PubChem CID 86600969) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is 6-amino-2-methylhex-2-enamide;hydrochloride.

Molecular Properties

Compound Name6-amino-2-methylhex-2-enamide;hydrochloride
PubChem CID86600969
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name6-amino-2-methylhex-2-enamide;hydrochloride
SMILESCC(=CCCCN)C(N)=O.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-6(7(9)10)4-2-3-5-8;/h4H,2-3,5,8H2,1H3,(H2,9,10);1H
InChIKeyZSGKACGSECORFL-UHFFFAOYSA-N
XLogP0.58
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methylhex-2-enamide;hydrochloride?
The IUPAC name of 6-amino-2-methylhex-2-enamide;hydrochloride (CID 86600969) is 6-amino-2-methylhex-2-enamide;hydrochloride.
What is the SMILES notation for 6-amino-2-methylhex-2-enamide;hydrochloride?
The canonical SMILES for 6-amino-2-methylhex-2-enamide;hydrochloride is CC(=CCCCN)C(N)=O.Cl.
What is the InChIKey of 6-amino-2-methylhex-2-enamide;hydrochloride?
The InChIKey is ZSGKACGSECORFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-6(7(9)10)4-2-3-5-8;/h4H,2-3,5,8H2,1H3,(H2,9,10);1H.
What are the key properties of 6-amino-2-methylhex-2-enamide;hydrochloride?
6-amino-2-methylhex-2-enamide;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methylhex-2-enamide;hydrochloride is sourced from PubChem (CID 86600969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).