(E)-5-(azetidin-1-yl)hept-4-en-3-imine

C10H18N2 — CID 123814783

IUPAC(E)-5-(azetidin-1-yl)hept-4-en-3-imine
SMILES[H]/N=C(/C=C(\CC)N1CCC1)CC
InChIInChI=1S/C10H18N2/c1-3-9(11)8-10(4-2)12-6-5-7-12/h8,11H,3-7H2,1-2H3/b10-8+,11-9+
InChIKeyNYPFDTZGRUPLJN-GFULKKFKSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds4

About (E)-5-(azetidin-1-yl)hept-4-en-3-imine

(E)-5-(azetidin-1-yl)hept-4-en-3-imine (PubChem CID 123814783) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (E)-5-(azetidin-1-yl)hept-4-en-3-imine.

Molecular Properties

Compound Name(E)-5-(azetidin-1-yl)hept-4-en-3-imine
PubChem CID123814783
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(E)-5-(azetidin-1-yl)hept-4-en-3-imine
SMILES[H]/N=C(/C=C(\CC)N1CCC1)CC
InChIInChI=1S/C10H18N2/c1-3-9(11)8-10(4-2)12-6-5-7-12/h8,11H,3-7H2,1-2H3/b10-8+,11-9+
InChIKeyNYPFDTZGRUPLJN-GFULKKFKSA-N
XLogP2.42
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-4-iminohex-2-en-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 123367064
6-[2-(Azetidin-1-yl)ethyl]-2-methyl-3,4-dihydropyridine
CID 142142769
1-[(3Z,5Z)-hepta-3,5-dien-3-yl]-N-[(Z)-4-iminopent-2-en-2-yl]azetidin-3-imine
CID 146583373
(2E,5E)-1,4-diimino-5-methyl-N,N-dipropylocta-2,5-dien-2-amine
CID 171811413

Frequently Asked Questions

What is the IUPAC name of (E)-5-(azetidin-1-yl)hept-4-en-3-imine?
The IUPAC name of (E)-5-(azetidin-1-yl)hept-4-en-3-imine (CID 123814783) is (E)-5-(azetidin-1-yl)hept-4-en-3-imine.
What is the SMILES notation for (E)-5-(azetidin-1-yl)hept-4-en-3-imine?
The canonical SMILES for (E)-5-(azetidin-1-yl)hept-4-en-3-imine is [H]/N=C(/C=C(\CC)N1CCC1)CC.
What is the InChIKey of (E)-5-(azetidin-1-yl)hept-4-en-3-imine?
The InChIKey is NYPFDTZGRUPLJN-GFULKKFKSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-9(11)8-10(4-2)12-6-5-7-12/h8,11H,3-7H2,1-2H3/b10-8+,11-9+.
What are the key properties of (E)-5-(azetidin-1-yl)hept-4-en-3-imine?
(E)-5-(azetidin-1-yl)hept-4-en-3-imine has a molecular weight of 166.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(azetidin-1-yl)hept-4-en-3-imine is sourced from PubChem (CID 123814783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).