5,6-dimethylidene-4,7-bis(prop-2-enyl)deca-1,9-diene-4,7-diamine

C18H28N2 — CID 87118745

IUPAC5,6-dimethylidene-4,7-bis(prop-2-enyl)deca-1,9-diene-4,7-diamine
SMILESC=CCC(N)(CC=C)C(=C)C(=C)C(N)(CC=C)CC=C
InChIInChI=1S/C18H28N2/c1-7-11-17(19,12-8-2)15(5)16(6)18(20,13-9-3)14-10-4/h7-10H,1-6,11-14,19-20H2
InChIKeyBPBJHRHHXLUFIJ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.80
Rot. Bonds11

About 5,6-dimethylidene-4,7-bis(prop-2-enyl)deca-1,9-diene-4,7-diamine

5,6-dimethylidene-4,7-bis(prop-2-enyl)deca-1,9-diene-4,7-diamine (PubChem CID 87118745) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5,6-dimethylidene-4,7-bis(prop-2-enyl)deca-1,9-diene-4,7-diamine.

Molecular Properties

Compound Name5,6-dimethylidene-4,7-bis(prop-2-enyl)deca-1,9-diene-4,7-diamine
PubChem CID87118745
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5,6-dimethylidene-4,7-bis(prop-2-enyl)deca-1,9-diene-4,7-diamine
SMILESC=CCC(N)(CC=C)C(=C)C(=C)C(N)(CC=C)CC=C
InChIInChI=1S/C18H28N2/c1-7-11-17(19,12-8-2)15(5)16(6)18(20,13-9-3)14-10-4/h7-10H,1-6,11-14,19-20H2
InChIKeyBPBJHRHHXLUFIJ-UHFFFAOYSA-N
XLogP3.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylidene-4,7-bis(prop-2-enyl)deca-1,9-diene-4,7-diamine?
The IUPAC name of 5,6-dimethylidene-4,7-bis(prop-2-enyl)deca-1,9-diene-4,7-diamine (CID 87118745) is 5,6-dimethylidene-4,7-bis(prop-2-enyl)deca-1,9-diene-4,7-diamine.
What is the SMILES notation for 5,6-dimethylidene-4,7-bis(prop-2-enyl)deca-1,9-diene-4,7-diamine?
The canonical SMILES for 5,6-dimethylidene-4,7-bis(prop-2-enyl)deca-1,9-diene-4,7-diamine is C=CCC(N)(CC=C)C(=C)C(=C)C(N)(CC=C)CC=C.
What is the InChIKey of 5,6-dimethylidene-4,7-bis(prop-2-enyl)deca-1,9-diene-4,7-diamine?
The InChIKey is BPBJHRHHXLUFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-7-11-17(19,12-8-2)15(5)16(6)18(20,13-9-3)14-10-4/h7-10H,1-6,11-14,19-20H2.
What are the key properties of 5,6-dimethylidene-4,7-bis(prop-2-enyl)deca-1,9-diene-4,7-diamine?
5,6-dimethylidene-4,7-bis(prop-2-enyl)deca-1,9-diene-4,7-diamine has a molecular weight of 272.44 g/mol, XLogP of 3.80, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylidene-4,7-bis(prop-2-enyl)deca-1,9-diene-4,7-diamine is sourced from PubChem (CID 87118745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).