pentyl ethanimidate

C7H15NO — CID 15777990

IUPACpentyl ethanimidate
SMILES[H]/N=C(\C)OCCCCC
InChIInChI=1S/C7H15NO/c1-3-4-5-6-9-7(2)8/h8H,3-6H2,1-2H3/b8-7+
InChIKeyIXSUDJSPVNKSDS-BQYQJAHWSA-N
MW129.20 g/mol
LogP2.19
Rot. Bonds4

About pentyl ethanimidate

pentyl ethanimidate (PubChem CID 15777990) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is pentyl ethanimidate.

Molecular Properties

Compound Namepentyl ethanimidate
PubChem CID15777990
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Namepentyl ethanimidate
SMILES[H]/N=C(\C)OCCCCC
InChIInChI=1S/C7H15NO/c1-3-4-5-6-9-7(2)8/h8H,3-6H2,1-2H3/b8-7+
InChIKeyIXSUDJSPVNKSDS-BQYQJAHWSA-N
XLogP2.19
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
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

Ethyl acetimidate
CID 65066
Butyrimidic acid, ethyl ester, hydrochloride
CID 16633
Ethyl butyrimidate hydrochloride
CID 12235055
Ethyl propanimidoate
CID 11240515
Ethyl butyrimidate
CID 16634
Methyl valerimidate hydrochloride
CID 5743465
1-Ethoxyethylideneazanium
CID 25201841
Oxan-2-imine
CID 359379
Methyl pentanimidate
CID 5743466
Ethyl valerimidate
CID 12283340
Ethyl pentanimidate hydrochloride
CID 12283341
Ethyl 2,2,2-trideuterioethanimidate
CID 13000589

Frequently Asked Questions

What is the IUPAC name of pentyl ethanimidate?
The IUPAC name of pentyl ethanimidate (CID 15777990) is pentyl ethanimidate.
What is the SMILES notation for pentyl ethanimidate?
The canonical SMILES for pentyl ethanimidate is [H]/N=C(\C)OCCCCC.
What is the InChIKey of pentyl ethanimidate?
The InChIKey is IXSUDJSPVNKSDS-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-5-6-9-7(2)8/h8H,3-6H2,1-2H3/b8-7+.
What are the key properties of pentyl ethanimidate?
pentyl ethanimidate has a molecular weight of 129.20 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl ethanimidate is sourced from PubChem (CID 15777990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).