N-(3,7-dimethylocta-2,6-dienyl)-2-methoxyaniline

C17H25NO — CID 68706568

IUPACN-(3,7-dimethylocta-2,6-dienyl)-2-methoxyaniline
SMILESCOc1ccccc1NCC=C(C)CCC=C(C)C
InChIInChI=1S/C17H25NO/c1-14(2)8-7-9-15(3)12-13-18-16-10-5-6-11-17(16)19-4/h5-6,8,10-12,18H,7,9,13H2,1-4H3
InChIKeyHFILHJHGMKHOLH-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.80
Rot. Bonds7

About N-(3,7-dimethylocta-2,6-dienyl)-2-methoxyaniline

N-(3,7-dimethylocta-2,6-dienyl)-2-methoxyaniline (PubChem CID 68706568) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(3,7-dimethylocta-2,6-dienyl)-2-methoxyaniline.

Molecular Properties

Compound NameN-(3,7-dimethylocta-2,6-dienyl)-2-methoxyaniline
PubChem CID68706568
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(3,7-dimethylocta-2,6-dienyl)-2-methoxyaniline
SMILESCOc1ccccc1NCC=C(C)CCC=C(C)C
InChIInChI=1S/C17H25NO/c1-14(2)8-7-9-15(3)12-13-18-16-10-5-6-11-17(16)19-4/h5-6,8,10-12,18H,7,9,13H2,1-4H3
InChIKeyHFILHJHGMKHOLH-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-methoxyphenyl)thiourea
CID 71541050
4-hydroxy-3-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]benzoic acid
CID 25106251
N-(2-methoxyphenyl)-3-methylbut-2-enamide
CID 19177446
5-bromo-2-methoxy-N-(3-methylbut-2-enyl)aniline
CID 107899816
methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 10656136
2-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 11418622
[4-(2-diethoxyphosphanyloxyethyl)phenyl] 2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]benzoate
CID 144735106
1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine
CID 162858744
2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol
CID 162975214
tert-butyl 3-(2-methoxyanilino)propanoate
CID 103231727
methyl (E)-2-[[(2Z)-3,7-dimethylocta-2,6-dienyl]carbamoyl]-4-phenylpent-3-enoate
CID 170919326
2-N-(3-methylbut-2-enyl)benzene-1,2-diamine
CID 106182311

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-2-methoxyaniline?
The IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-2-methoxyaniline (CID 68706568) is N-(3,7-dimethylocta-2,6-dienyl)-2-methoxyaniline.
What is the SMILES notation for N-(3,7-dimethylocta-2,6-dienyl)-2-methoxyaniline?
The canonical SMILES for N-(3,7-dimethylocta-2,6-dienyl)-2-methoxyaniline is COc1ccccc1NCC=C(C)CCC=C(C)C.
What is the InChIKey of N-(3,7-dimethylocta-2,6-dienyl)-2-methoxyaniline?
The InChIKey is HFILHJHGMKHOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14(2)8-7-9-15(3)12-13-18-16-10-5-6-11-17(16)19-4/h5-6,8,10-12,18H,7,9,13H2,1-4H3.
What are the key properties of N-(3,7-dimethylocta-2,6-dienyl)-2-methoxyaniline?
N-(3,7-dimethylocta-2,6-dienyl)-2-methoxyaniline has a molecular weight of 259.39 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethylocta-2,6-dienyl)-2-methoxyaniline is sourced from PubChem (CID 68706568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).