1-N'-[(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dienyl]hexane-1,1-diamine

C15H28N2O — CID 88926733

IUPAC1-N'-[(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dienyl]hexane-1,1-diamine
SMILESC=C(OC)/C(=C\C=C/C)CNC(N)CCCCC
InChIInChI=1S/C15H28N2O/c1-5-7-9-11-15(16)17-12-14(10-8-6-2)13(3)18-4/h6,8,10,15,17H,3,5,7,9,11-12,16H2,1-2,4H3/b8-6-,14-10-
InChIKeyDCLHJRFOKMUSMC-LYORTEKZSA-N
MW252.40 g/mol
LogP3.10
Rot. Bonds10

About 1-N'-[(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dienyl]hexane-1,1-diamine

1-N'-[(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dienyl]hexane-1,1-diamine (PubChem CID 88926733) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-N'-[(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dienyl]hexane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dienyl]hexane-1,1-diamine
PubChem CID88926733
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-N'-[(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dienyl]hexane-1,1-diamine
SMILESC=C(OC)/C(=C\C=C/C)CNC(N)CCCCC
InChIInChI=1S/C15H28N2O/c1-5-7-9-11-15(16)17-12-14(10-8-6-2)13(3)18-4/h6,8,10,15,17H,3,5,7,9,11-12,16H2,1-2,4H3/b8-6-,14-10-
InChIKeyDCLHJRFOKMUSMC-LYORTEKZSA-N
XLogP3.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.10
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dienyl]hexane-1,1-diamine?
The IUPAC name of 1-N'-[(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dienyl]hexane-1,1-diamine (CID 88926733) is 1-N'-[(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dienyl]hexane-1,1-diamine.
What is the SMILES notation for 1-N'-[(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dienyl]hexane-1,1-diamine?
The canonical SMILES for 1-N'-[(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dienyl]hexane-1,1-diamine is C=C(OC)/C(=C\C=C/C)CNC(N)CCCCC.
What is the InChIKey of 1-N'-[(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dienyl]hexane-1,1-diamine?
The InChIKey is DCLHJRFOKMUSMC-LYORTEKZSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-7-9-11-15(16)17-12-14(10-8-6-2)13(3)18-4/h6,8,10,15,17H,3,5,7,9,11-12,16H2,1-2,4H3/b8-6-,14-10-.
What are the key properties of 1-N'-[(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dienyl]hexane-1,1-diamine?
1-N'-[(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dienyl]hexane-1,1-diamine has a molecular weight of 252.40 g/mol, XLogP of 3.10, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dienyl]hexane-1,1-diamine is sourced from PubChem (CID 88926733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).