N'-(1-bicyclo[2.2.2]octanyl)-N-nonylethane-1,2-diamine

C19H38N2 — CID 68978835

IUPACN'-(1-bicyclo[2.2.2]octanyl)-N-nonylethane-1,2-diamine
SMILESCCCCCCCCCNCCNC12CCC(CC1)CC2
InChIInChI=1S/C19H38N2/c1-2-3-4-5-6-7-8-15-20-16-17-21-19-12-9-18(10-13-19)11-14-19/h18,20-21H,2-17H2,1H3
InChIKeyNIDKSLVFXWWRBJ-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.64
Rot. Bonds12

About N'-(1-bicyclo[2.2.2]octanyl)-N-nonylethane-1,2-diamine

N'-(1-bicyclo[2.2.2]octanyl)-N-nonylethane-1,2-diamine (PubChem CID 68978835) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N'-(1-bicyclo[2.2.2]octanyl)-N-nonylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-bicyclo[2.2.2]octanyl)-N-nonylethane-1,2-diamine
PubChem CID68978835
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN'-(1-bicyclo[2.2.2]octanyl)-N-nonylethane-1,2-diamine
SMILESCCCCCCCCCNCCNC12CCC(CC1)CC2
InChIInChI=1S/C19H38N2/c1-2-3-4-5-6-7-8-15-20-16-17-21-19-12-9-18(10-13-19)11-14-19/h18,20-21H,2-17H2,1H3
InChIKeyNIDKSLVFXWWRBJ-UHFFFAOYSA-N
XLogP4.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(1-bicyclo[2.2.2]octanyl)-N-nonylethane-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,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
methane;N-octyloctan-1-amine
CID 87294693
N-butyltetradecan-1-amine
CID 3548872
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
N-ethyl-N'-hexylethane-1,2-diamine
CID 7171940

Frequently Asked Questions

What is the IUPAC name of N'-(1-bicyclo[2.2.2]octanyl)-N-nonylethane-1,2-diamine?
The IUPAC name of N'-(1-bicyclo[2.2.2]octanyl)-N-nonylethane-1,2-diamine (CID 68978835) is N'-(1-bicyclo[2.2.2]octanyl)-N-nonylethane-1,2-diamine.
What is the SMILES notation for N'-(1-bicyclo[2.2.2]octanyl)-N-nonylethane-1,2-diamine?
The canonical SMILES for N'-(1-bicyclo[2.2.2]octanyl)-N-nonylethane-1,2-diamine is CCCCCCCCCNCCNC12CCC(CC1)CC2.
What is the InChIKey of N'-(1-bicyclo[2.2.2]octanyl)-N-nonylethane-1,2-diamine?
The InChIKey is NIDKSLVFXWWRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-2-3-4-5-6-7-8-15-20-16-17-21-19-12-9-18(10-13-19)11-14-19/h18,20-21H,2-17H2,1H3.
What are the key properties of N'-(1-bicyclo[2.2.2]octanyl)-N-nonylethane-1,2-diamine?
N'-(1-bicyclo[2.2.2]octanyl)-N-nonylethane-1,2-diamine has a molecular weight of 294.53 g/mol, XLogP of 4.64, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-bicyclo[2.2.2]octanyl)-N-nonylethane-1,2-diamine is sourced from PubChem (CID 68978835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).