N'-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine

C22H38N2 — CID 6320423

IUPACN'-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine
SMILESCC(C)=CCCC(C)=CCNCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3
InChIKeyJFIBVDBTCDTBRH-UHFFFAOYSA-N
MW330.56 g/mol
LogP4.68
Rot. Bonds9

About N'-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine

N'-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine (PubChem CID 6320423) has the molecular formula C22H38N2 and a molecular weight of 330.56 g/mol. Its IUPAC name is N'-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine
PubChem CID6320423
Molecular FormulaC22H38N2
Molecular Weight330.56 g/mol
Exact Mass330.30
IUPAC NameN'-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine
SMILESCC(C)=CCCC(C)=CCNCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3
InChIKeyJFIBVDBTCDTBRH-UHFFFAOYSA-N
XLogP4.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 54.68
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine (CID 6320423) is N'-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine is CC(C)=CCCC(C)=CCNCCNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N'-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine?
The InChIKey is JFIBVDBTCDTBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3.
What are the key properties of N'-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine?
N'-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine has a molecular weight of 330.56 g/mol, XLogP of 4.68, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-adamantyl)-N-(3,7-dimethylocta-2,6-dienyl)ethane-1,2-diamine is sourced from PubChem (CID 6320423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).