N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine

C24H51N3 — CID 173430140

IUPACN'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine
SMILESCCCCCCCCCCCCCCCCC=CNCCCNCCCN
InChIInChI=1S/C24H51N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-23-19-24-27-22-18-20-25/h17,21,26-27H,2-16,18-20,22-25H2,1H3
InChIKeyBRGLLMXDKLVABA-UHFFFAOYSA-N
MW381.69 g/mol
LogP6.29
Rot. Bonds23

About N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine

N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine (PubChem CID 173430140) has the molecular formula C24H51N3 and a molecular weight of 381.69 g/mol. Its IUPAC name is N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine
PubChem CID173430140
Molecular FormulaC24H51N3
Molecular Weight381.69 g/mol
Exact Mass381.41
IUPAC NameN'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine
SMILESCCCCCCCCCCCCCCCCC=CNCCCNCCCN
InChIInChI=1S/C24H51N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-23-19-24-27-22-18-20-25/h17,21,26-27H,2-16,18-20,22-25H2,1H3
InChIKeyBRGLLMXDKLVABA-UHFFFAOYSA-N
XLogP6.29
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.69
LogP ≤ 56.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-oct-1-enylhexane-1,6-diamine
CID 139771497
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'-[(E)-octadec-9-enyl]propane-1,3-diamine
CID 6365166
N'-[(E)-tricos-1-enyl]ethane-1,2-diamine
CID 22930928
N'-[(E)-hexadec-1-enyl]ethane-1,2-diamine
CID 22930941
acetic acid;N'-octadec-1-enylpropane-1,3-diamine
CID 162315882
N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 154268370
(E)-N,N'-bis[3-(ethylamino)propyl]pent-1-ene-1,5-diamine
CID 138564627
N'-octadeca-9,12-dienyloctadecane-1,18-diamine
CID 91564749
N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine
CID 88826631
(Z)-N-propyltridec-4-en-1-amine
CID 174276526

Frequently Asked Questions

What is the IUPAC name of N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine (CID 173430140) is N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine is CCCCCCCCCCCCCCCCC=CNCCCNCCCN.
What is the InChIKey of N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine?
The InChIKey is BRGLLMXDKLVABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-23-19-24-27-22-18-20-25/h17,21,26-27H,2-16,18-20,22-25H2,1H3.
What are the key properties of N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine?
N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine has a molecular weight of 381.69 g/mol, XLogP of 6.29, 23 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 173430140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).