1-N'-(4-methoxypent-4-enyl)ethene-1,1-diamine

C8H16N2O — CID 89028588

IUPAC1-N'-(4-methoxypent-4-enyl)ethene-1,1-diamine
SMILESC=C(N)NCCCC(=C)OC
InChIInChI=1S/C8H16N2O/c1-7(11-3)5-4-6-10-8(2)9/h10H,1-2,4-6,9H2,3H3
InChIKeyQRDWGZUXYVLPCE-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.95
Rot. Bonds6

About 1-N'-(4-methoxypent-4-enyl)ethene-1,1-diamine

1-N'-(4-methoxypent-4-enyl)ethene-1,1-diamine (PubChem CID 89028588) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-N'-(4-methoxypent-4-enyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-(4-methoxypent-4-enyl)ethene-1,1-diamine
PubChem CID89028588
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-N'-(4-methoxypent-4-enyl)ethene-1,1-diamine
SMILESC=C(N)NCCCC(=C)OC
InChIInChI=1S/C8H16N2O/c1-7(11-3)5-4-6-10-8(2)9/h10H,1-2,4-6,9H2,3H3
InChIKeyQRDWGZUXYVLPCE-UHFFFAOYSA-N
XLogP0.95
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-methoxypent-4-enyl)ethene-1,1-diamine?
The IUPAC name of 1-N'-(4-methoxypent-4-enyl)ethene-1,1-diamine (CID 89028588) is 1-N'-(4-methoxypent-4-enyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N'-(4-methoxypent-4-enyl)ethene-1,1-diamine?
The canonical SMILES for 1-N'-(4-methoxypent-4-enyl)ethene-1,1-diamine is C=C(N)NCCCC(=C)OC.
What is the InChIKey of 1-N'-(4-methoxypent-4-enyl)ethene-1,1-diamine?
The InChIKey is QRDWGZUXYVLPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(11-3)5-4-6-10-8(2)9/h10H,1-2,4-6,9H2,3H3.
What are the key properties of 1-N'-(4-methoxypent-4-enyl)ethene-1,1-diamine?
1-N'-(4-methoxypent-4-enyl)ethene-1,1-diamine has a molecular weight of 156.23 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-methoxypent-4-enyl)ethene-1,1-diamine is sourced from PubChem (CID 89028588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).