2-ethylbutanimidate;hydrochloride

C6H13ClNO- — CID 19082418

IUPAC2-ethylbutanimidate;hydrochloride
SMILESCl.[H]/N=C(\[O-])C(CC)CC
InChIInChI=1S/C6H13NO.ClH/c1-3-5(4-2)6(7)8;/h5H,3-4H2,1-2H3,(H2,7,8);1H/p-1
InChIKeyNZNRHJPZXCZRHS-UHFFFAOYSA-M
MW150.63 g/mol
LogP1.18
Rot. Bonds3

About 2-ethylbutanimidate;hydrochloride

2-ethylbutanimidate;hydrochloride (PubChem CID 19082418) has the molecular formula C6H13ClNO- and a molecular weight of 150.63 g/mol. Its IUPAC name is 2-ethylbutanimidate;hydrochloride.

Molecular Properties

Compound Name2-ethylbutanimidate;hydrochloride
PubChem CID19082418
Molecular FormulaC6H13ClNO-
Molecular Weight150.63 g/mol
Exact Mass150.07
IUPAC Name2-ethylbutanimidate;hydrochloride
SMILESCl.[H]/N=C(\[O-])C(CC)CC
InChIInChI=1S/C6H13NO.ClH/c1-3-5(4-2)6(7)8;/h5H,3-4H2,1-2H3,(H2,7,8);1H/p-1
InChIKeyNZNRHJPZXCZRHS-UHFFFAOYSA-M
XLogP1.18
TPSA46.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.63
LogP ≤ 51.18
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

3-ethylpentan-2-imine
CID 91583168
2-ethylpropanediimidamide;dihydrochloride
CID 87175836
2-ethylbutanimidoylphosphonous acid
CID 91569966
hydron;propanimidate;hydrochloride
CID 173251815
(2S)-2-amino-3-hydroxypropanimidate;triethylazanium
CID 141039034
tris(2-ethylbutanoate);niobium(3+)
CID 173096666
lithium 2-ethylbutanoate
CID 23681528
1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium
CID 91186124
bis(4-ethyl-3-oxohexanoate);titanium(2+);dihydrate
CID 174056895
2-methyloctanimidate;tetrabutylazanium
CID 159243241
2-ethyl-N,N-dipropoxybutanimidamide
CID 159668750
ethanimidate;methane
CID 162090399

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutanimidate;hydrochloride?
The IUPAC name of 2-ethylbutanimidate;hydrochloride (CID 19082418) is 2-ethylbutanimidate;hydrochloride.
What is the SMILES notation for 2-ethylbutanimidate;hydrochloride?
The canonical SMILES for 2-ethylbutanimidate;hydrochloride is Cl.[H]/N=C(\[O-])C(CC)CC.
What is the InChIKey of 2-ethylbutanimidate;hydrochloride?
The InChIKey is NZNRHJPZXCZRHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO.ClH/c1-3-5(4-2)6(7)8;/h5H,3-4H2,1-2H3,(H2,7,8);1H/p-1.
What are the key properties of 2-ethylbutanimidate;hydrochloride?
2-ethylbutanimidate;hydrochloride has a molecular weight of 150.63 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutanimidate;hydrochloride is sourced from PubChem (CID 19082418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).