(E)-N-propylbut-2-en-1-imine

C7H13N — CID 10866289

IUPAC(E)-N-propylbut-2-en-1-imine
SMILESC/C=C/C=N/CCC
InChIInChI=1S/C7H13N/c1-3-5-7-8-6-4-2/h3,5,7H,4,6H2,1-2H3/b5-3+,8-7+
InChIKeyYFEAXKKQLJPKHF-VSAQMIDASA-N
MW111.19 g/mol
LogP2.04
Rot. Bonds3

About (E)-N-propylbut-2-en-1-imine

(E)-N-propylbut-2-en-1-imine (PubChem CID 10866289) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (E)-N-propylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-propylbut-2-en-1-imine
PubChem CID10866289
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(E)-N-propylbut-2-en-1-imine
SMILESC/C=C/C=N/CCC
InChIInChI=1S/C7H13N/c1-3-5-7-8-6-4-2/h3,5,7H,4,6H2,1-2H3/b5-3+,8-7+
InChIKeyYFEAXKKQLJPKHF-VSAQMIDASA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-propylbut-2-en-1-imine?
The IUPAC name of (E)-N-propylbut-2-en-1-imine (CID 10866289) is (E)-N-propylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-propylbut-2-en-1-imine?
The canonical SMILES for (E)-N-propylbut-2-en-1-imine is C/C=C/C=N/CCC.
What is the InChIKey of (E)-N-propylbut-2-en-1-imine?
The InChIKey is YFEAXKKQLJPKHF-VSAQMIDASA-N. The full InChI is InChI=1S/C7H13N/c1-3-5-7-8-6-4-2/h3,5,7H,4,6H2,1-2H3/b5-3+,8-7+.
What are the key properties of (E)-N-propylbut-2-en-1-imine?
(E)-N-propylbut-2-en-1-imine has a molecular weight of 111.19 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-propylbut-2-en-1-imine is sourced from PubChem (CID 10866289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).