N'-oct-5-enylhexane-1,6-diamine

C14H30N2 — CID 90705008

IUPACN'-oct-5-enylhexane-1,6-diamine
SMILESCCC=CCCCCNCCCCCCN
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
InChIKeyMXPZNSFSBFCBAT-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.23
Rot. Bonds12

About N'-oct-5-enylhexane-1,6-diamine

N'-oct-5-enylhexane-1,6-diamine (PubChem CID 90705008) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-oct-5-enylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-oct-5-enylhexane-1,6-diamine
PubChem CID90705008
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-oct-5-enylhexane-1,6-diamine
SMILESCCC=CCCCCNCCCCCCN
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
InChIKeyMXPZNSFSBFCBAT-UHFFFAOYSA-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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Related Compounds

pentadec-12-en-1-amine
CID 174557378
N'-[(E)-octadec-9-enyl]propane-1,3-diamine
CID 6365166
N'-octadeca-9,12-dienyloctadecane-1,18-diamine
CID 91564749
N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 154268370
(Z)-N-hexadecyloctadec-9-en-1-amine
CID 86624385
(Z)-N-[(Z)-octadec-9-enyl]henicos-12-en-1-amine
CID 146653047
(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine
CID 162361236
3-[[(E)-dec-7-enyl]amino]propanenitrile
CID 101282869
N-ethyl-N'-hex-3-enylpentane-1,5-diamine
CID 123144490
tetradec-7-ene-1,14-diamine
CID 91430908
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
(3E,16E)-nonadeca-3,16-diene
CID 157471321

Frequently Asked Questions

What is the IUPAC name of N'-oct-5-enylhexane-1,6-diamine?
The IUPAC name of N'-oct-5-enylhexane-1,6-diamine (CID 90705008) is N'-oct-5-enylhexane-1,6-diamine.
What is the SMILES notation for N'-oct-5-enylhexane-1,6-diamine?
The canonical SMILES for N'-oct-5-enylhexane-1,6-diamine is CCC=CCCCCNCCCCCCN.
What is the InChIKey of N'-oct-5-enylhexane-1,6-diamine?
The InChIKey is MXPZNSFSBFCBAT-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/h3-4,16H,2,5-15H2,1H3.
What are the key properties of N'-oct-5-enylhexane-1,6-diamine?
N'-oct-5-enylhexane-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'-oct-5-enylhexane-1,6-diamine is sourced from PubChem (CID 90705008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).