(1Z,3Z)-5-(azetidin-3-yl)penta-1,3-dien-1-amine

C8H14N2 — CID 156874634

IUPAC(1Z,3Z)-5-(azetidin-3-yl)penta-1,3-dien-1-amine
SMILESN/C=C\C=C/CC1CNC1
InChIInChI=1S/C8H14N2/c9-5-3-1-2-4-8-6-10-7-8/h1-3,5,8,10H,4,6-7,9H2/b2-1-,5-3-
InChIKeyMIRLQQZNXICNEW-NWJCXACMSA-N
MW138.21 g/mol
LogP0.62
Rot. Bonds3

About (1Z,3Z)-5-(azetidin-3-yl)penta-1,3-dien-1-amine

(1Z,3Z)-5-(azetidin-3-yl)penta-1,3-dien-1-amine (PubChem CID 156874634) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (1Z,3Z)-5-(azetidin-3-yl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-(azetidin-3-yl)penta-1,3-dien-1-amine
PubChem CID156874634
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(1Z,3Z)-5-(azetidin-3-yl)penta-1,3-dien-1-amine
SMILESN/C=C\C=C/CC1CNC1
InChIInChI=1S/C8H14N2/c9-5-3-1-2-4-8-6-10-7-8/h1-3,5,8,10H,4,6-7,9H2/b2-1-,5-3-
InChIKeyMIRLQQZNXICNEW-NWJCXACMSA-N
XLogP0.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-(azetidin-3-yl)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-5-(azetidin-3-yl)penta-1,3-dien-1-amine (CID 156874634) is (1Z,3Z)-5-(azetidin-3-yl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-(azetidin-3-yl)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-5-(azetidin-3-yl)penta-1,3-dien-1-amine is N/C=C\C=C/CC1CNC1.
What is the InChIKey of (1Z,3Z)-5-(azetidin-3-yl)penta-1,3-dien-1-amine?
The InChIKey is MIRLQQZNXICNEW-NWJCXACMSA-N. The full InChI is InChI=1S/C8H14N2/c9-5-3-1-2-4-8-6-10-7-8/h1-3,5,8,10H,4,6-7,9H2/b2-1-,5-3-.
What are the key properties of (1Z,3Z)-5-(azetidin-3-yl)penta-1,3-dien-1-amine?
(1Z,3Z)-5-(azetidin-3-yl)penta-1,3-dien-1-amine has a molecular weight of 138.21 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-(azetidin-3-yl)penta-1,3-dien-1-amine is sourced from PubChem (CID 156874634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).