N'-[3-[[(Z)-octadec-9-enyl]amino]propyl]propane-1,3-diamine

C24H51N3 — CID 6438215

IUPACN'-[3-[[(Z)-octadec-9-enyl]amino]propyl]propane-1,3-diamine
SMILESCCCCCCCC/C=C\CCCCCCCCNCCCNCCCN
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/h9-10,26-27H,2-8,11-25H2,1H3/b10-9-
InChIKeyZXUXEWRICDHNKF-KTKRTIGZSA-N
MW381.69 g/mol
LogP5.94
Rot. Bonds23

About N'-[3-[[(Z)-octadec-9-enyl]amino]propyl]propane-1,3-diamine

N'-[3-[[(Z)-octadec-9-enyl]amino]propyl]propane-1,3-diamine (PubChem CID 6438215) has the molecular formula C24H51N3 and a molecular weight of 381.69 g/mol. Its IUPAC name is N'-[3-[[(Z)-octadec-9-enyl]amino]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[[(Z)-octadec-9-enyl]amino]propyl]propane-1,3-diamine
PubChem CID6438215
Molecular FormulaC24H51N3
Molecular Weight381.69 g/mol
Exact Mass381.41
IUPAC NameN'-[3-[[(Z)-octadec-9-enyl]amino]propyl]propane-1,3-diamine
SMILESCCCCCCCC/C=C\CCCCCCCCNCCCNCCCN
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/h9-10,26-27H,2-8,11-25H2,1H3/b10-9-
InChIKeyZXUXEWRICDHNKF-KTKRTIGZSA-N
XLogP5.94
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 ≤ 55.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Oleylamine
CID 5356789
N-Oleyl-1,3-propanediamine
CID 6435904
3-((9Z)-9-Octadecenylamino)propanenitrile
CID 6438051
13-Docosen-1-amine, (13Z)-
CID 20841368
9-Octadecenylamine
CID 6258392
Motuporamine C
CID 9818652
(Z)-N1-(Octadec-9-en-1-yl)propane-1,3-diamine xhydrochloride
CID 88836539
Linoleamine
CID 6438044
N-(3-aminopropyl)-N'-[3-[3-[[(Z)-2-tetradecyloctadec-2-enyl]amino]propylamino]propyl]butane-1,4-diamine
CID 24997081
9-Octadecen-1-amine
CID 8219
N'-[3-[(10Z)-1-azacyclotetradec-10-en-1-yl]propyl]propane-1,3-diamine
CID 10902959
Dioleylamine
CID 11214516

Frequently Asked Questions

What is the IUPAC name of N'-[3-[[(Z)-octadec-9-enyl]amino]propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-[[(Z)-octadec-9-enyl]amino]propyl]propane-1,3-diamine (CID 6438215) is N'-[3-[[(Z)-octadec-9-enyl]amino]propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-[[(Z)-octadec-9-enyl]amino]propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-[[(Z)-octadec-9-enyl]amino]propyl]propane-1,3-diamine is CCCCCCCC/C=C\CCCCCCCCNCCCNCCCN.
What is the InChIKey of N'-[3-[[(Z)-octadec-9-enyl]amino]propyl]propane-1,3-diamine?
The InChIKey is ZXUXEWRICDHNKF-KTKRTIGZSA-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/h9-10,26-27H,2-8,11-25H2,1H3/b10-9-.
What are the key properties of N'-[3-[[(Z)-octadec-9-enyl]amino]propyl]propane-1,3-diamine?
N'-[3-[[(Z)-octadec-9-enyl]amino]propyl]propane-1,3-diamine has a molecular weight of 381.69 g/mol, XLogP of 5.94, 23 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[[(Z)-octadec-9-enyl]amino]propyl]propane-1,3-diamine is sourced from PubChem (CID 6438215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).