N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine

C30H67N7 — CID 154268370

IUPACN'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCCCCCCCCC=CCCCCCCCCNCCNCCNCCNCCNCCNCCN
InChIInChI=1S/C30H67N7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-32-21-23-34-25-27-36-29-30-37-28-26-35-24-22-33-20-18-31/h9-10,32-37H,2-8,11-31H2,1H3
InChIKeyKTGFQIZIDUISJP-UHFFFAOYSA-N
MW525.92 g/mol
LogP3.52
Rot. Bonds33

About N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine

N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 154268370) has the molecular formula C30H67N7 and a molecular weight of 525.92 g/mol. Its IUPAC name is N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
PubChem CID154268370
Molecular FormulaC30H67N7
Molecular Weight525.92 g/mol
Exact Mass525.55
IUPAC NameN'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCCCCCCCCC=CCCCCCCCCNCCNCCNCCNCCNCCNCCN
InChIInChI=1S/C30H67N7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-32-21-23-34-25-27-36-29-30-37-28-26-35-24-22-33-20-18-31/h9-10,32-37H,2-8,11-31H2,1H3
InChIKeyKTGFQIZIDUISJP-UHFFFAOYSA-N
XLogP3.52
TPSA98.20 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds33
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.92
LogP ≤ 53.52
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine with MolForge

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Related Compounds

N'-[(E)-octadec-9-enyl]propane-1,3-diamine
CID 6365166
(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
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371
N'-octadeca-9,12-dienyloctadecane-1,18-diamine
CID 91564749
N'-henicosylethane-1,2-diamine
CID 22930907
N'-docosylethane-1,2-diamine
CID 18783196
(12Z,15Z)-N-[(11Z,14Z)-icosa-11,14-dienyl]henicosa-12,15-dien-1-amine
CID 129018541
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
(Z)-N-propyltridec-4-en-1-amine
CID 174276526

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine (CID 154268370) is N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine is CCCCCCCCC=CCCCCCCCCNCCNCCNCCNCCNCCNCCN.
What is the InChIKey of N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is KTGFQIZIDUISJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H67N7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-32-21-23-34-25-27-36-29-30-37-28-26-35-24-22-33-20-18-31/h9-10,32-37H,2-8,11-31H2,1H3.
What are the key properties of N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 525.92 g/mol, XLogP of 3.52, 33 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 154268370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).