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

C24H43NO — CID 144804929

IUPAC(2E)-N-[3-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]propyl]-3,7-dimethylocta-2,6-dien-1-amine
SMILESCC(C)=CCC/C(C)=C/CNCCCOC1C(C)CC2CC(C)CC1C2
InChIInChI=1S/C24H43NO/c1-18(2)8-6-9-19(3)10-12-25-11-7-13-26-24-21(5)16-22-14-20(4)15-23(24)17-22/h8,10,20-25H,6-7,9,11-17H2,1-5H3/b19-10+
InChIKeyIQEWXWCVPAWHRE-VXLYETTFSA-N
MW361.61 g/mol
LogP6.14
Rot. Bonds10

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

(2E)-N-[3-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]propyl]-3,7-dimethylocta-2,6-dien-1-amine (PubChem CID 144804929) has the molecular formula C24H43NO and a molecular weight of 361.61 g/mol. Its IUPAC name is (2E)-N-[3-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]propyl]-3,7-dimethylocta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-N-[3-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]propyl]-3,7-dimethylocta-2,6-dien-1-amine
PubChem CID144804929
Molecular FormulaC24H43NO
Molecular Weight361.61 g/mol
Exact Mass361.33
IUPAC Name(2E)-N-[3-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]propyl]-3,7-dimethylocta-2,6-dien-1-amine
SMILESCC(C)=CCC/C(C)=C/CNCCCOC1C(C)CC2CC(C)CC1C2
InChIInChI=1S/C24H43NO/c1-18(2)8-6-9-19(3)10-12-25-11-7-13-26-24-21(5)16-22-14-20(4)15-23(24)17-22/h8,10,20-25H,6-7,9,11-17H2,1-5H3/b19-10+
InChIKeyIQEWXWCVPAWHRE-VXLYETTFSA-N
XLogP6.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.61
LogP ≤ 56.14
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-[3-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]propyl]-3,7-dimethylocta-2,6-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N'-(2-adamantyl)-N-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]ethane-1,2-diamine;dihydrochloride
CID 46866182
(2E)-N-[3-(1-adamantyl)propyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 165083551
N'-(3,7,11-trimethyldodeca-2,6,10-trienyl)butane-1,4-diamine
CID 123875955
N'-[3-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propyl]octane-1,8-diamine
CID 147822843
3,7,11-trimethyl-N-(3-pyrrolidin-1-ylpropyl)dodeca-2,6,10-trien-1-amine
CID 72671729
(2E)-N-[2-(aziridin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 5365864
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
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(2-methyl-4-methylidenecyclohexyl)ethane-1,2-diamine;molecular hydrogen
CID 143948031
5,10,14,18-tetramethylnonadeca-5,9,13,17-tetraenoxycyclopropane
CID 57232099
(4E)-N-(2-adamantyl)-5,9-dimethyldeca-4,8-dienamide
CID 102358163
N-[3-(cyclopropylmethoxy)propyl]-3-methylbut-2-en-1-amine
CID 103605831
N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)adamantan-1-amine
CID 123302484

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[3-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]propyl]-3,7-dimethylocta-2,6-dien-1-amine?
The IUPAC name of (2E)-N-[3-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]propyl]-3,7-dimethylocta-2,6-dien-1-amine (CID 144804929) is (2E)-N-[3-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]propyl]-3,7-dimethylocta-2,6-dien-1-amine.
What is the SMILES notation for (2E)-N-[3-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]propyl]-3,7-dimethylocta-2,6-dien-1-amine?
The canonical SMILES for (2E)-N-[3-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]propyl]-3,7-dimethylocta-2,6-dien-1-amine is CC(C)=CCC/C(C)=C/CNCCCOC1C(C)CC2CC(C)CC1C2.
What is the InChIKey of (2E)-N-[3-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]propyl]-3,7-dimethylocta-2,6-dien-1-amine?
The InChIKey is IQEWXWCVPAWHRE-VXLYETTFSA-N. The full InChI is InChI=1S/C24H43NO/c1-18(2)8-6-9-19(3)10-12-25-11-7-13-26-24-21(5)16-22-14-20(4)15-23(24)17-22/h8,10,20-25H,6-7,9,11-17H2,1-5H3/b19-10+.
What are the key properties of (2E)-N-[3-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]propyl]-3,7-dimethylocta-2,6-dien-1-amine?
(2E)-N-[3-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]propyl]-3,7-dimethylocta-2,6-dien-1-amine has a molecular weight of 361.61 g/mol, XLogP of 6.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[3-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)oxy]propyl]-3,7-dimethylocta-2,6-dien-1-amine is sourced from PubChem (CID 144804929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).