(1Z,3E)-1-N-(oxan-4-yl)penta-1,3-diene-1,3-diamine

C10H18N2O — CID 134566869

IUPAC(1Z,3E)-1-N-(oxan-4-yl)penta-1,3-diene-1,3-diamine
SMILESC/C=C(N)\C=C/NC1CCOCC1
InChIInChI=1S/C10H18N2O/c1-2-9(11)3-6-12-10-4-7-13-8-5-10/h2-3,6,10,12H,4-5,7-8,11H2,1H3/b6-3-,9-2+
InChIKeyJDLBFHQSQZVIMC-PDLVQGTHSA-N
MW182.27 g/mol
LogP1.13
Rot. Bonds3

About (1Z,3E)-1-N-(oxan-4-yl)penta-1,3-diene-1,3-diamine

(1Z,3E)-1-N-(oxan-4-yl)penta-1,3-diene-1,3-diamine (PubChem CID 134566869) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (1Z,3E)-1-N-(oxan-4-yl)penta-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name(1Z,3E)-1-N-(oxan-4-yl)penta-1,3-diene-1,3-diamine
PubChem CID134566869
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(1Z,3E)-1-N-(oxan-4-yl)penta-1,3-diene-1,3-diamine
SMILESC/C=C(N)\C=C/NC1CCOCC1
InChIInChI=1S/C10H18N2O/c1-2-9(11)3-6-12-10-4-7-13-8-5-10/h2-3,6,10,12H,4-5,7-8,11H2,1H3/b6-3-,9-2+
InChIKeyJDLBFHQSQZVIMC-PDLVQGTHSA-N
XLogP1.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,3E)-1-N-(oxan-4-yl)penta-1,3-diene-1,3-diamine?
The IUPAC name of (1Z,3E)-1-N-(oxan-4-yl)penta-1,3-diene-1,3-diamine (CID 134566869) is (1Z,3E)-1-N-(oxan-4-yl)penta-1,3-diene-1,3-diamine.
What is the SMILES notation for (1Z,3E)-1-N-(oxan-4-yl)penta-1,3-diene-1,3-diamine?
The canonical SMILES for (1Z,3E)-1-N-(oxan-4-yl)penta-1,3-diene-1,3-diamine is C/C=C(N)\C=C/NC1CCOCC1.
What is the InChIKey of (1Z,3E)-1-N-(oxan-4-yl)penta-1,3-diene-1,3-diamine?
The InChIKey is JDLBFHQSQZVIMC-PDLVQGTHSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-9(11)3-6-12-10-4-7-13-8-5-10/h2-3,6,10,12H,4-5,7-8,11H2,1H3/b6-3-,9-2+.
What are the key properties of (1Z,3E)-1-N-(oxan-4-yl)penta-1,3-diene-1,3-diamine?
(1Z,3E)-1-N-(oxan-4-yl)penta-1,3-diene-1,3-diamine has a molecular weight of 182.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-N-(oxan-4-yl)penta-1,3-diene-1,3-diamine is sourced from PubChem (CID 134566869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).