N-hexa-4,5-dienyl-4-methylidene-N'-propylheptane-1,7-diamine

C17H32N2 — CID 91597724

IUPACN-hexa-4,5-dienyl-4-methylidene-N'-propylheptane-1,7-diamine
SMILESC=C=CCCCNCCCC(=C)CCCNCCC
InChIInChI=1S/C17H32N2/c1-4-6-7-8-14-19-16-10-12-17(3)11-9-15-18-13-5-2/h6,18-19H,1,3,5,7-16H2,2H3
InChIKeyKJWIWKYKLOYRHG-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.81
Rot. Bonds14

About N-hexa-4,5-dienyl-4-methylidene-N'-propylheptane-1,7-diamine

N-hexa-4,5-dienyl-4-methylidene-N'-propylheptane-1,7-diamine (PubChem CID 91597724) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-hexa-4,5-dienyl-4-methylidene-N'-propylheptane-1,7-diamine.

Molecular Properties

Compound NameN-hexa-4,5-dienyl-4-methylidene-N'-propylheptane-1,7-diamine
PubChem CID91597724
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-hexa-4,5-dienyl-4-methylidene-N'-propylheptane-1,7-diamine
SMILESC=C=CCCCNCCCC(=C)CCCNCCC
InChIInChI=1S/C17H32N2/c1-4-6-7-8-14-19-16-10-12-17(3)11-9-15-18-13-5-2/h6,18-19H,1,3,5,7-16H2,2H3
InChIKeyKJWIWKYKLOYRHG-UHFFFAOYSA-N
XLogP3.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexa-4,5-dienyl-4-methylidene-N'-propylheptane-1,7-diamine?
The IUPAC name of N-hexa-4,5-dienyl-4-methylidene-N'-propylheptane-1,7-diamine (CID 91597724) is N-hexa-4,5-dienyl-4-methylidene-N'-propylheptane-1,7-diamine.
What is the SMILES notation for N-hexa-4,5-dienyl-4-methylidene-N'-propylheptane-1,7-diamine?
The canonical SMILES for N-hexa-4,5-dienyl-4-methylidene-N'-propylheptane-1,7-diamine is C=C=CCCCNCCCC(=C)CCCNCCC.
What is the InChIKey of N-hexa-4,5-dienyl-4-methylidene-N'-propylheptane-1,7-diamine?
The InChIKey is KJWIWKYKLOYRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-4-6-7-8-14-19-16-10-12-17(3)11-9-15-18-13-5-2/h6,18-19H,1,3,5,7-16H2,2H3.
What are the key properties of N-hexa-4,5-dienyl-4-methylidene-N'-propylheptane-1,7-diamine?
N-hexa-4,5-dienyl-4-methylidene-N'-propylheptane-1,7-diamine has a molecular weight of 264.46 g/mol, XLogP of 3.81, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-4,5-dienyl-4-methylidene-N'-propylheptane-1,7-diamine is sourced from PubChem (CID 91597724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).