(2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7-dimethylocta-2,6-dien-1-amine

C23H41NO — CID 144804930

IUPAC(2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7-dimethylocta-2,6-dien-1-amine
SMILESCC(C)=CCC/C(C)=C/CNCCOC1C(C)CC2CC(C)CC1C2
InChIInChI=1S/C23H41NO/c1-17(2)7-6-8-18(3)9-10-24-11-12-25-23-20(5)15-21-13-19(4)14-22(23)16-21/h7,9,19-24H,6,8,10-16H2,1-5H3/b18-9+
InChIKeyCLJIJOXVCFOFBT-GIJQJNRQSA-N
MW347.59 g/mol
LogP5.75
Rot. Bonds9

About (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7-dimethylocta-2,6-dien-1-amine

(2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7-dimethylocta-2,6-dien-1-amine (PubChem CID 144804930) has the molecular formula C23H41NO and a molecular weight of 347.59 g/mol. Its IUPAC name is (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7-dimethylocta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7-dimethylocta-2,6-dien-1-amine
PubChem CID144804930
Molecular FormulaC23H41NO
Molecular Weight347.59 g/mol
Exact Mass347.32
IUPAC Name(2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7-dimethylocta-2,6-dien-1-amine
SMILESCC(C)=CCC/C(C)=C/CNCCOC1C(C)CC2CC(C)CC1C2
InChIInChI=1S/C23H41NO/c1-17(2)7-6-8-18(3)9-10-24-11-12-25-23-20(5)15-21-13-19(4)14-22(23)16-21/h7,9,19-24H,6,8,10-16H2,1-5H3/b18-9+
InChIKeyCLJIJOXVCFOFBT-GIJQJNRQSA-N
XLogP5.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.59
LogP ≤ 55.75
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 (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7-dimethylocta-2,6-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(2E)-N-[2-(2-adamantyloxy)ethyl]-3,7-dimethyl-octa-2,6-dien-1-amine
CID 90655951
(2E)-N-[3-(2-adamantyloxy)propyl]-3,7-dimethyl-octa-2,6-dien-1-amine
CID 90676156
(2E)-3,7-dimethyl-N-[2-[(2-methyl-2-adamantyl)oxy]ethyl]octa-2,6-dien-1-amine
CID 117951435
(2E)-3,7-dimethyl-N-[2-[(2-propan-2-yl-2-adamantyl)oxy]ethyl]octa-2,6-dien-1-amine
CID 117951436
(2E,6E)-N-[2-(2-adamantyloxy)ethyl]-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
CID 117951442
3-[(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)oxy]-N-methylpropan-1-amine
CID 122498937
3,7-dimethyl-N-[2-[(2-methyl-2-adamantyl)oxy]ethyl]octa-2,6-dien-1-amine
CID 123264581
N-[2-(2-adamantyloxy)ethyl]-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
CID 123438646
N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
CID 123544106
3,7-dimethyl-N-[2-[(2-propan-2-yl-2-adamantyl)oxy]ethyl]octa-2,6-dien-1-amine
CID 123728504
N-[2-(2-adamantyloxy)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 123797468
N-[3-(2-adamantyloxy)propyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 123908755

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
The IUPAC name of (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7-dimethylocta-2,6-dien-1-amine (CID 144804930) is (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7-dimethylocta-2,6-dien-1-amine.
What is the SMILES notation for (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
The canonical SMILES for (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7-dimethylocta-2,6-dien-1-amine is CC(C)=CCC/C(C)=C/CNCCOC1C(C)CC2CC(C)CC1C2.
What is the InChIKey of (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
The InChIKey is CLJIJOXVCFOFBT-GIJQJNRQSA-N. The full InChI is InChI=1S/C23H41NO/c1-17(2)7-6-8-18(3)9-10-24-11-12-25-23-20(5)15-21-13-19(4)14-22(23)16-21/h7,9,19-24H,6,8,10-16H2,1-5H3/b18-9+.
What are the key properties of (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
(2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7-dimethylocta-2,6-dien-1-amine has a molecular weight of 347.59 g/mol, XLogP of 5.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]ethyl]-3,7-dimethylocta-2,6-dien-1-amine is sourced from PubChem (CID 144804930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).