ethyl butanimidate

C6H13NO — CID 16634

IUPACethyl butanimidate
SMILES[H]/N=C(\CCC)OCC
InChIInChI=1S/C6H13NO/c1-3-5-6(7)8-4-2/h7H,3-5H2,1-2H3/b7-6+
InChIKeyJEZVIUQRUWOXRY-VOTSOKGWSA-N
MW115.18 g/mol
LogP1.80
Rot. Bonds3

About ethyl butanimidate

ethyl butanimidate (PubChem CID 16634) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is ethyl butanimidate.

Molecular Properties

Compound Nameethyl butanimidate
PubChem CID16634
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Nameethyl butanimidate
SMILES[H]/N=C(\CCC)OCC
InChIInChI=1S/C6H13NO/c1-3-5-6(7)8-4-2/h7H,3-5H2,1-2H3/b7-6+
InChIKeyJEZVIUQRUWOXRY-VOTSOKGWSA-N
XLogP1.80
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
Butyrimidic acid, ethyl ester, hydrochloride
CID 16633
Ethyl butyrimidate hydrochloride
CID 12235055
1,3-Diethyl propanediimidate
CID 73107
Ethyl propanimidoate
CID 11240515
Ethyl 2-methylpropanecarboximidate hydrochloride
CID 12816252
Ethyl propanecarboximidate hydrochloride
CID 13000588
Methylbutyrimidate
CID 6453093
Ethyl 2-methylpropanimidoate
CID 10419153
Ethyl cyclopropanecarboximidate
CID 14518434
Methylethanecarboximidate
CID 10855375

Frequently Asked Questions

What is the IUPAC name of ethyl butanimidate?
The IUPAC name of ethyl butanimidate (CID 16634) is ethyl butanimidate.
What is the SMILES notation for ethyl butanimidate?
The canonical SMILES for ethyl butanimidate is [H]/N=C(\CCC)OCC.
What is the InChIKey of ethyl butanimidate?
The InChIKey is JEZVIUQRUWOXRY-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-5-6(7)8-4-2/h7H,3-5H2,1-2H3/b7-6+.
What are the key properties of ethyl butanimidate?
ethyl butanimidate has a molecular weight of 115.18 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl butanimidate is sourced from PubChem (CID 16634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).