2,3-dimethylidene-1-(methylideneamino)pent-4-en-1-amine

C8H12N2 — CID 23372026

IUPAC2,3-dimethylidene-1-(methylideneamino)pent-4-en-1-amine
SMILESC=CC(=C)C(=C)C(N)N=C
InChIInChI=1S/C8H12N2/c1-5-6(2)7(3)8(9)10-4/h5,8H,1-4,9H2
InChIKeyBEQKTCGRQCBUFU-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.27
Rot. Bonds4

About 2,3-dimethylidene-1-(methylideneamino)pent-4-en-1-amine

2,3-dimethylidene-1-(methylideneamino)pent-4-en-1-amine (PubChem CID 23372026) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2,3-dimethylidene-1-(methylideneamino)pent-4-en-1-amine.

Molecular Properties

Compound Name2,3-dimethylidene-1-(methylideneamino)pent-4-en-1-amine
PubChem CID23372026
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2,3-dimethylidene-1-(methylideneamino)pent-4-en-1-amine
SMILESC=CC(=C)C(=C)C(N)N=C
InChIInChI=1S/C8H12N2/c1-5-6(2)7(3)8(9)10-4/h5,8H,1-4,9H2
InChIKeyBEQKTCGRQCBUFU-UHFFFAOYSA-N
XLogP1.27
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylidene-1-(methylideneamino)pent-4-en-1-amine?
The IUPAC name of 2,3-dimethylidene-1-(methylideneamino)pent-4-en-1-amine (CID 23372026) is 2,3-dimethylidene-1-(methylideneamino)pent-4-en-1-amine.
What is the SMILES notation for 2,3-dimethylidene-1-(methylideneamino)pent-4-en-1-amine?
The canonical SMILES for 2,3-dimethylidene-1-(methylideneamino)pent-4-en-1-amine is C=CC(=C)C(=C)C(N)N=C.
What is the InChIKey of 2,3-dimethylidene-1-(methylideneamino)pent-4-en-1-amine?
The InChIKey is BEQKTCGRQCBUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-5-6(2)7(3)8(9)10-4/h5,8H,1-4,9H2.
What are the key properties of 2,3-dimethylidene-1-(methylideneamino)pent-4-en-1-amine?
2,3-dimethylidene-1-(methylideneamino)pent-4-en-1-amine has a molecular weight of 136.20 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylidene-1-(methylideneamino)pent-4-en-1-amine is sourced from PubChem (CID 23372026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).