N,N-diethylicos-9-ene-1,20-diamine

C24H50N2 — CID 154402145

IUPACN,N-diethylicos-9-ene-1,20-diamine
SMILESCCN(CC)CCCCCCCCC=CCCCCCCCCCCN
InChIInChI=1S/C24H50N2/c1-3-26(4-2)24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25/h6,8H,3-5,7,9-25H2,1-2H3
InChIKeyBJGPUJNPYSLHJM-UHFFFAOYSA-N
MW366.68 g/mol
LogP7.08
Rot. Bonds21

About N,N-diethylicos-9-ene-1,20-diamine

N,N-diethylicos-9-ene-1,20-diamine (PubChem CID 154402145) has the molecular formula C24H50N2 and a molecular weight of 366.68 g/mol. Its IUPAC name is N,N-diethylicos-9-ene-1,20-diamine.

Molecular Properties

Compound NameN,N-diethylicos-9-ene-1,20-diamine
PubChem CID154402145
Molecular FormulaC24H50N2
Molecular Weight366.68 g/mol
Exact Mass366.40
IUPAC NameN,N-diethylicos-9-ene-1,20-diamine
SMILESCCN(CC)CCCCCCCCC=CCCCCCCCCCCN
InChIInChI=1S/C24H50N2/c1-3-26(4-2)24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25/h6,8H,3-5,7,9-25H2,1-2H3
InChIKeyBJGPUJNPYSLHJM-UHFFFAOYSA-N
XLogP7.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.68
LogP ≤ 57.08
H-Bond Donors ≤ 51
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

N',N'-diethylnonane-1,9-diamine
CID 22055140
N,N-dioctyloctan-1-amine;(Z)-octadec-9-en-1-amine
CID 175208767
(E)-N,N-diethylheptadec-9-en-1-amine
CID 102116407
(E)-N,N-diethylheptadec-13-en-1-amine
CID 102116411
N,N'-bis(3-aminopropyl)-N,N'-bis(nonadec-9-enyl)butane-1,4-diamine
CID 76557641
(E)-N,N-diethylheptadec-4-en-1-amine
CID 102116402
N'-hexadecyl-N'-[(Z)-octadec-9-enyl]ethane-1,2-diamine
CID 175236523
N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
CID 86127606
12-(diethylamino)dodec-1-en-1-ol
CID 142764006
tetradec-7-ene-1,14-diamine
CID 91430908
hexacos-7-en-1-amine
CID 54386716
henicos-9-en-1-amine
CID 154097370

Frequently Asked Questions

What is the IUPAC name of N,N-diethylicos-9-ene-1,20-diamine?
The IUPAC name of N,N-diethylicos-9-ene-1,20-diamine (CID 154402145) is N,N-diethylicos-9-ene-1,20-diamine.
What is the SMILES notation for N,N-diethylicos-9-ene-1,20-diamine?
The canonical SMILES for N,N-diethylicos-9-ene-1,20-diamine is CCN(CC)CCCCCCCCC=CCCCCCCCCCCN.
What is the InChIKey of N,N-diethylicos-9-ene-1,20-diamine?
The InChIKey is BJGPUJNPYSLHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2/c1-3-26(4-2)24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25/h6,8H,3-5,7,9-25H2,1-2H3.
What are the key properties of N,N-diethylicos-9-ene-1,20-diamine?
N,N-diethylicos-9-ene-1,20-diamine has a molecular weight of 366.68 g/mol, XLogP of 7.08, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylicos-9-ene-1,20-diamine is sourced from PubChem (CID 154402145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).