N'-[(E)-oct-5-enyl]hexane-1,6-diamine

C14H30N2 — CID 87438415

IUPACN'-[(E)-oct-5-enyl]hexane-1,6-diamine
SMILESCC/C=C/CCCCNCCCCCCN
InChIInChI=1S/C14H30N2/c1-2-3-4-5-7-10-13-16-14-11-8-6-9-12-15/h3-4,16H,2,5-15H2,1H3/b4-3+
InChIKeyMXPZNSFSBFCBAT-ONEGZZNKSA-N
MW226.41 g/mol
LogP3.23
Rot. Bonds12

About N'-[(E)-oct-5-enyl]hexane-1,6-diamine

N'-[(E)-oct-5-enyl]hexane-1,6-diamine (PubChem CID 87438415) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-[(E)-oct-5-enyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN'-[(E)-oct-5-enyl]hexane-1,6-diamine
PubChem CID87438415
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-[(E)-oct-5-enyl]hexane-1,6-diamine
SMILESCC/C=C/CCCCNCCCCCCN
InChIInChI=1S/C14H30N2/c1-2-3-4-5-7-10-13-16-14-11-8-6-9-12-15/h3-4,16H,2,5-15H2,1H3/b4-3+
InChIKeyMXPZNSFSBFCBAT-ONEGZZNKSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.23
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'-[(E)-oct-5-enyl]hexane-1,6-diamine?
The IUPAC name of N'-[(E)-oct-5-enyl]hexane-1,6-diamine (CID 87438415) is N'-[(E)-oct-5-enyl]hexane-1,6-diamine.
What is the SMILES notation for N'-[(E)-oct-5-enyl]hexane-1,6-diamine?
The canonical SMILES for N'-[(E)-oct-5-enyl]hexane-1,6-diamine is CC/C=C/CCCCNCCCCCCN.
What is the InChIKey of N'-[(E)-oct-5-enyl]hexane-1,6-diamine?
The InChIKey is MXPZNSFSBFCBAT-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H30N2/c1-2-3-4-5-7-10-13-16-14-11-8-6-9-12-15/h3-4,16H,2,5-15H2,1H3/b4-3+.
What are the key properties of N'-[(E)-oct-5-enyl]hexane-1,6-diamine?
N'-[(E)-oct-5-enyl]hexane-1,6-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.23, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-oct-5-enyl]hexane-1,6-diamine is sourced from PubChem (CID 87438415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).