3-methylidenepent-4-ene-1,4-diamine

C6H12N2 — CID 90246599

IUPAC3-methylidenepent-4-ene-1,4-diamine
SMILESC=C(N)C(=C)CCN
InChIInChI=1S/C6H12N2/c1-5(3-4-7)6(2)8/h1-4,7-8H2
InChIKeyUZIKGMXDRBNPKB-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.36
Rot. Bonds3

About 3-methylidenepent-4-ene-1,4-diamine

3-methylidenepent-4-ene-1,4-diamine (PubChem CID 90246599) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3-methylidenepent-4-ene-1,4-diamine.

Molecular Properties

Compound Name3-methylidenepent-4-ene-1,4-diamine
PubChem CID90246599
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3-methylidenepent-4-ene-1,4-diamine
SMILESC=C(N)C(=C)CCN
InChIInChI=1S/C6H12N2/c1-5(3-4-7)6(2)8/h1-4,7-8H2
InChIKeyUZIKGMXDRBNPKB-UHFFFAOYSA-N
XLogP0.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.36
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 3-methylidenepent-4-ene-1,4-diamine?
The IUPAC name of 3-methylidenepent-4-ene-1,4-diamine (CID 90246599) is 3-methylidenepent-4-ene-1,4-diamine.
What is the SMILES notation for 3-methylidenepent-4-ene-1,4-diamine?
The canonical SMILES for 3-methylidenepent-4-ene-1,4-diamine is C=C(N)C(=C)CCN.
What is the InChIKey of 3-methylidenepent-4-ene-1,4-diamine?
The InChIKey is UZIKGMXDRBNPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(3-4-7)6(2)8/h1-4,7-8H2.
What are the key properties of 3-methylidenepent-4-ene-1,4-diamine?
3-methylidenepent-4-ene-1,4-diamine has a molecular weight of 112.18 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenepent-4-ene-1,4-diamine is sourced from PubChem (CID 90246599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).