propyl N-butylethanimidate

C9H19NO — CID 155161366

IUPACpropyl N-butylethanimidate
SMILESCCCC/N=C(\C)OCCC
InChIInChI=1S/C9H19NO/c1-4-6-7-10-9(3)11-8-5-2/h4-8H2,1-3H3/b10-9+
InChIKeyGCEJBCKQIMQXHZ-MDZDMXLPSA-N
MW157.26 g/mol
LogP2.63
Rot. Bonds5

About propyl N-butylethanimidate

propyl N-butylethanimidate (PubChem CID 155161366) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is propyl N-butylethanimidate.

Molecular Properties

Compound Namepropyl N-butylethanimidate
PubChem CID155161366
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Namepropyl N-butylethanimidate
SMILESCCCC/N=C(\C)OCCC
InChIInChI=1S/C9H19NO/c1-4-6-7-10-9(3)11-8-5-2/h4-8H2,1-3H3/b10-9+
InChIKeyGCEJBCKQIMQXHZ-MDZDMXLPSA-N
XLogP2.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propyl 3-butyliminobutanoate
CID 19796782
methyl N-decylethanimidate
CID 51355250
1,1-dipropoxy-N-propylmethanimine
CID 10932179
octane;propyl acetate
CID 174786724
propyl (1E)-N-methoxycarbonylethanimidate
CID 21350809
N'-butylethanimidamide;ethanol;hexane;propan-2-ol
CID 159292943
ethyl N-butylbenzenecarboximidate
CID 19093178
3-amino-2-butyl-1-(3-methoxypropyl)-1-methylguanidine
CID 104885878
1-(1,2,2-tripropoxyethenoxy)propane
CID 12561622
2-butyl-1,1-dimethylguanidine;hydroiodide
CID 130748355
N-tert-butyl-N'-butylethanimidamide
CID 164879261
1-amino-2-(3-butoxypropyl)guanidine
CID 104864981

Frequently Asked Questions

What is the IUPAC name of propyl N-butylethanimidate?
The IUPAC name of propyl N-butylethanimidate (CID 155161366) is propyl N-butylethanimidate.
What is the SMILES notation for propyl N-butylethanimidate?
The canonical SMILES for propyl N-butylethanimidate is CCCC/N=C(\C)OCCC.
What is the InChIKey of propyl N-butylethanimidate?
The InChIKey is GCEJBCKQIMQXHZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-6-7-10-9(3)11-8-5-2/h4-8H2,1-3H3/b10-9+.
What are the key properties of propyl N-butylethanimidate?
propyl N-butylethanimidate has a molecular weight of 157.26 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-butylethanimidate is sourced from PubChem (CID 155161366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).