N'-oct-1-enylhexane-1,6-diamine

C14H30N2 — CID 139771497

IUPACN'-oct-1-enylhexane-1,6-diamine
SMILESCCCCCCC=CNCCCCCCN
InChIInChI=1S/C14H30N2/c1-2-3-4-5-7-10-13-16-14-11-8-6-9-12-15/h10,13,16H,2-9,11-12,14-15H2,1H3
InChIKeyQVBFBZHEBLQXQK-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.58
Rot. Bonds12

About N'-oct-1-enylhexane-1,6-diamine

N'-oct-1-enylhexane-1,6-diamine (PubChem CID 139771497) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-oct-1-enylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-oct-1-enylhexane-1,6-diamine
PubChem CID139771497
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-oct-1-enylhexane-1,6-diamine
SMILESCCCCCCC=CNCCCCCCN
InChIInChI=1S/C14H30N2/c1-2-3-4-5-7-10-13-16-14-11-8-6-9-12-15/h10,13,16H,2-9,11-12,14-15H2,1H3
InChIKeyQVBFBZHEBLQXQK-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-tricos-1-enyl]ethane-1,2-diamine
CID 22930928
N'-[(E)-hexadec-1-enyl]ethane-1,2-diamine
CID 22930941
N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine
CID 173430140
acetic acid;N'-octadec-1-enylpropane-1,3-diamine
CID 162315882
N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 139695762
N'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 139695795
N-tridecylprop-1-ene-1,3-diamine
CID 173118910
N-tetradecylprop-1-ene-1,3-diamine
CID 173093162
(Z)-hexacos-9-en-1-amine
CID 139899136
(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
CID 150821100
(Z)-tetradec-7-en-1-amine
CID 10680019
octadec-9-en-1-amine
CID 8219

Frequently Asked Questions

What is the IUPAC name of N'-oct-1-enylhexane-1,6-diamine?
The IUPAC name of N'-oct-1-enylhexane-1,6-diamine (CID 139771497) is N'-oct-1-enylhexane-1,6-diamine.
What is the SMILES notation for N'-oct-1-enylhexane-1,6-diamine?
The canonical SMILES for N'-oct-1-enylhexane-1,6-diamine is CCCCCCC=CNCCCCCCN.
What is the InChIKey of N'-oct-1-enylhexane-1,6-diamine?
The InChIKey is QVBFBZHEBLQXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-2-3-4-5-7-10-13-16-14-11-8-6-9-12-15/h10,13,16H,2-9,11-12,14-15H2,1H3.
What are the key properties of N'-oct-1-enylhexane-1,6-diamine?
N'-oct-1-enylhexane-1,6-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.58, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-oct-1-enylhexane-1,6-diamine is sourced from PubChem (CID 139771497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).