2-N,2-N-diethylicos-11-ene-1,2-diamine

C24H50N2 — CID 54105909

IUPAC2-N,2-N-diethylicos-11-ene-1,2-diamine
SMILESCCCCCCCCC=CCCCCCCCCC(CN)N(CC)CC
InChIInChI=1S/C24H50N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(23-25)26(5-2)6-3/h13-14,24H,4-12,15-23,25H2,1-3H3
InChIKeyNDSZSVYMICNPJQ-UHFFFAOYSA-N
MW366.68 g/mol
LogP7.08
Rot. Bonds20

About 2-N,2-N-diethylicos-11-ene-1,2-diamine

2-N,2-N-diethylicos-11-ene-1,2-diamine (PubChem CID 54105909) has the molecular formula C24H50N2 and a molecular weight of 366.68 g/mol. Its IUPAC name is 2-N,2-N-diethylicos-11-ene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethylicos-11-ene-1,2-diamine
PubChem CID54105909
Molecular FormulaC24H50N2
Molecular Weight366.68 g/mol
Exact Mass366.40
IUPAC Name2-N,2-N-diethylicos-11-ene-1,2-diamine
SMILESCCCCCCCCC=CCCCCCCCCC(CN)N(CC)CC
InChIInChI=1S/C24H50N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(23-25)26(5-2)6-3/h13-14,24H,4-12,15-23,25H2,1-3H3
InChIKeyNDSZSVYMICNPJQ-UHFFFAOYSA-N
XLogP7.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
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'}

Analyze 2-N,2-N-diethylicos-11-ene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Oleyl-1,3-propanediamine
CID 6435904
Motuporamine C
CID 9818652
(17R,9Z)-1,17-diaminooctadec-9-ene
CID 14825482
Clathculin A
CID 10519632
Clathculin B
CID 10734505
N'-[3-[(10Z)-1-azacyclotetradec-10-en-1-yl]propyl]propane-1,3-diamine
CID 10902959
N~1~-[3-(1-Azacyclopentadec-6-en-1-yl)propyl]propane-1,3-diamine
CID 69807557
N'-[3-(1-azacyclotetradec-10-en-1-yl)propyl]propane-1,3-diamine
CID 85309053
(Z)-N-(3-Aminopropyl)-N'-9-octadecenylpropane-1,3-diamine
CID 6438215
(Z)-N-(3-aminopropyl)-N(or N')-9-octadecenylpropane-1,3-diamine
CID 87629710
2-methyl-6-[(E)-pentadec-6-enyl]piperidine
CID 5458392
2-Methyl-6-(cis-4-tridecenyl)piperidine
CID 68549441

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethylicos-11-ene-1,2-diamine?
The IUPAC name of 2-N,2-N-diethylicos-11-ene-1,2-diamine (CID 54105909) is 2-N,2-N-diethylicos-11-ene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethylicos-11-ene-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethylicos-11-ene-1,2-diamine is CCCCCCCCC=CCCCCCCCCC(CN)N(CC)CC.
What is the InChIKey of 2-N,2-N-diethylicos-11-ene-1,2-diamine?
The InChIKey is NDSZSVYMICNPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(23-25)26(5-2)6-3/h13-14,24H,4-12,15-23,25H2,1-3H3.
What are the key properties of 2-N,2-N-diethylicos-11-ene-1,2-diamine?
2-N,2-N-diethylicos-11-ene-1,2-diamine has a molecular weight of 366.68 g/mol, XLogP of 7.08, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethylicos-11-ene-1,2-diamine is sourced from PubChem (CID 54105909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).