1-ethoxybutylideneazanium chloride

C6H14ClNO — CID 16633

IUPAC1-ethoxybutylideneazanium chloride
SMILESCCCC(=[NH2+])OCC.[Cl-]
InChIInChI=1S/C6H13NO.ClH/c1-3-5-6(7)8-4-2;/h7H,3-5H2,1-2H3;1H
InChIKeyYGBFFMMKLWVKGU-UHFFFAOYSA-N
MW151.64 g/mol
LogP-3.02
Rot. Bonds3

About 1-ethoxybutylideneazanium chloride

1-ethoxybutylideneazanium chloride (PubChem CID 16633) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 1-ethoxybutylideneazanium chloride.

Molecular Properties

Compound Name1-ethoxybutylideneazanium chloride
PubChem CID16633
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name1-ethoxybutylideneazanium chloride
SMILESCCCC(=[NH2+])OCC.[Cl-]
InChIInChI=1S/C6H13NO.ClH/c1-3-5-6(7)8-4-2;/h7H,3-5H2,1-2H3;1H
InChIKeyYGBFFMMKLWVKGU-UHFFFAOYSA-N
XLogP-3.02
TPSA34.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 5-3.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Ethanimidic acid, ethyl ester, hydrochloride (1:1)
CID 2724290
Ethyl acetimidate
CID 65066
Ethyl butyrimidate hydrochloride
CID 12235055
Ethyl cyclopropanecarboximidate hydrochloride
CID 20026660
Ethyl propanimidoate
CID 11240515
Ethyl 2-methylpropanecarboximidate hydrochloride
CID 12816252
Ethyl propanecarboximidate hydrochloride
CID 13000588
Ethyl butyrimidate
CID 16634
Methyl valerimidate hydrochloride
CID 5743465
Methylbutyrimidate
CID 6453093
Ethyl 2-methylpropanimidoate
CID 10419153
Methylethanecarboximidate
CID 10855375

Frequently Asked Questions

What is the IUPAC name of 1-ethoxybutylideneazanium chloride?
The IUPAC name of 1-ethoxybutylideneazanium chloride (CID 16633) is 1-ethoxybutylideneazanium chloride.
What is the SMILES notation for 1-ethoxybutylideneazanium chloride?
The canonical SMILES for 1-ethoxybutylideneazanium chloride is CCCC(=[NH2+])OCC.[Cl-].
What is the InChIKey of 1-ethoxybutylideneazanium chloride?
The InChIKey is YGBFFMMKLWVKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-3-5-6(7)8-4-2;/h7H,3-5H2,1-2H3;1H.
What are the key properties of 1-ethoxybutylideneazanium chloride?
1-ethoxybutylideneazanium chloride has a molecular weight of 151.64 g/mol, XLogP of -3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxybutylideneazanium chloride is sourced from PubChem (CID 16633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).