N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(2-methyl-4-methylidenecyclohexyl)ethane-1,2-diamine;molecular hydrogen

C20H40N2 — CID 143948031

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(2-methyl-4-methylidenecyclohexyl)ethane-1,2-diamine;molecular hydrogen
SMILESC=C1CCC(NCCNC/C=C(\C)CCC=C(C)C)C(C)C1.[H][H].[H][H]
InChIInChI=1S/C20H36N2.2H2/c1-16(2)7-6-8-17(3)11-12-21-13-14-22-20-10-9-18(4)15-19(20)5;;/h7,11,19-22H,4,6,8-10,12-15H2,1-3,5H3;2*1H/b17-11+;;
InChIKeyXTQYSEKUTSAZJS-HSZLIDMQSA-N
MW308.55 g/mol
LogP5.10
Rot. Bonds9

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(2-methyl-4-methylidenecyclohexyl)ethane-1,2-diamine;molecular hydrogen

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(2-methyl-4-methylidenecyclohexyl)ethane-1,2-diamine;molecular hydrogen (PubChem CID 143948031) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(2-methyl-4-methylidenecyclohexyl)ethane-1,2-diamine;molecular hydrogen.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(2-methyl-4-methylidenecyclohexyl)ethane-1,2-diamine;molecular hydrogen
PubChem CID143948031
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(2-methyl-4-methylidenecyclohexyl)ethane-1,2-diamine;molecular hydrogen
SMILESC=C1CCC(NCCNC/C=C(\C)CCC=C(C)C)C(C)C1.[H][H].[H][H]
InChIInChI=1S/C20H36N2.2H2/c1-16(2)7-6-8-17(3)11-12-21-13-14-22-20-10-9-18(4)15-19(20)5;;/h7,11,19-22H,4,6,8-10,12-15H2,1-3,5H3;2*1H/b17-11+;;
InChIKeyXTQYSEKUTSAZJS-HSZLIDMQSA-N
XLogP5.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 55.10
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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Related Compounds

(2E)-N-[2-(aziridin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 5365864
N'-(2-adamantyl)-N-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine;dihydrochloride
CID 46866182
3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine
CID 72671729
N'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine
CID 123875955
(2E)-N-[3-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]propyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 144804929
(2E)-N-[3-(1-adamantyl)propyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 165083551
(2S)-1,1-dimethyl-3-methylidene-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohexane
CID 100918373
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-propylpiperidin-4-amine
CID 39820519
N'-[3-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propyl]octane-1,8-diamine
CID 147822843
(2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine
CID 141263523
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-[(1R,2S,3R,4R,6S,7R,8S,9S,10S,12S)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-yl]ethane-1,2-diamine
CID 66572385
3,7-dimethyl-N-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]octa-2,6-dien-1-amine
CID 123672303

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(2-methyl-4-methylidenecyclohexyl)ethane-1,2-diamine;molecular hydrogen?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(2-methyl-4-methylidenecyclohexyl)ethane-1,2-diamine;molecular hydrogen (CID 143948031) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(2-methyl-4-methylidenecyclohexyl)ethane-1,2-diamine;molecular hydrogen.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(2-methyl-4-methylidenecyclohexyl)ethane-1,2-diamine;molecular hydrogen?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(2-methyl-4-methylidenecyclohexyl)ethane-1,2-diamine;molecular hydrogen is C=C1CCC(NCCNC/C=C(\C)CCC=C(C)C)C(C)C1.[H][H].[H][H].
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(2-methyl-4-methylidenecyclohexyl)ethane-1,2-diamine;molecular hydrogen?
The InChIKey is XTQYSEKUTSAZJS-HSZLIDMQSA-N. The full InChI is InChI=1S/C20H36N2.2H2/c1-16(2)7-6-8-17(3)11-12-21-13-14-22-20-10-9-18(4)15-19(20)5;;/h7,11,19-22H,4,6,8-10,12-15H2,1-3,5H3;2*1H/b17-11+;;.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(2-methyl-4-methylidenecyclohexyl)ethane-1,2-diamine;molecular hydrogen?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(2-methyl-4-methylidenecyclohexyl)ethane-1,2-diamine;molecular hydrogen has a molecular weight of 308.55 g/mol, XLogP of 5.10, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(2-methyl-4-methylidenecyclohexyl)ethane-1,2-diamine;molecular hydrogen is sourced from PubChem (CID 143948031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).