4-N-[(2E,4E)-3-methoxyhepta-2,4-dien-4-yl]-4-N-methylbenzene-1,4-diamine

C15H22N2O — CID 155697338

IUPAC4-N-[(2E,4E)-3-methoxyhepta-2,4-dien-4-yl]-4-N-methylbenzene-1,4-diamine
SMILESC/C=C(OC)\C(=C/CC)N(C)c1ccc(N)cc1
InChIInChI=1S/C15H22N2O/c1-5-7-14(15(6-2)18-4)17(3)13-10-8-12(16)9-11-13/h6-11H,5,16H2,1-4H3/b14-7+,15-6+
InChIKeyUXPRXFUBWHZDRO-UWQNIFAVSA-N
MW246.35 g/mol
LogP3.55
Rot. Bonds5

About 4-N-[(2E,4E)-3-methoxyhepta-2,4-dien-4-yl]-4-N-methylbenzene-1,4-diamine

4-N-[(2E,4E)-3-methoxyhepta-2,4-dien-4-yl]-4-N-methylbenzene-1,4-diamine (PubChem CID 155697338) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-N-[(2E,4E)-3-methoxyhepta-2,4-dien-4-yl]-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2E,4E)-3-methoxyhepta-2,4-dien-4-yl]-4-N-methylbenzene-1,4-diamine
PubChem CID155697338
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-N-[(2E,4E)-3-methoxyhepta-2,4-dien-4-yl]-4-N-methylbenzene-1,4-diamine
SMILESC/C=C(OC)\C(=C/CC)N(C)c1ccc(N)cc1
InChIInChI=1S/C15H22N2O/c1-5-7-14(15(6-2)18-4)17(3)13-10-8-12(16)9-11-13/h6-11H,5,16H2,1-4H3/b14-7+,15-6+
InChIKeyUXPRXFUBWHZDRO-UWQNIFAVSA-N
XLogP3.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-N,2-dimethylbutanamide
CID 43114423
N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide
CID 43627611
N-[(3Z,5Z)-2-methoxy-5-methylocta-3,5-dien-3-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline
CID 176921471
N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide
CID 43114424
4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
CID 62001857
N-(4-aminophenyl)-2-[ethyl(2-methoxyethyl)amino]-N-methylacetamide
CID 61444480
N-(4-aminophenyl)-N,N'-dimethylethanimidamide
CID 70562086
N-[(2Z,4Z)-1-methoxy-4-methylhepta-2,4-dien-2-yl]-N-methyl-4-(2,2,2-trifluoroethyl)aniline
CID 176921686
N-(4-aminophenyl)-4-ethyl-N-methylbenzamide
CID 28894052
N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide
CID 23506938
(E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide
CID 115343896
4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine
CID 163509117

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2E,4E)-3-methoxyhepta-2,4-dien-4-yl]-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-[(2E,4E)-3-methoxyhepta-2,4-dien-4-yl]-4-N-methylbenzene-1,4-diamine (CID 155697338) is 4-N-[(2E,4E)-3-methoxyhepta-2,4-dien-4-yl]-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[(2E,4E)-3-methoxyhepta-2,4-dien-4-yl]-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[(2E,4E)-3-methoxyhepta-2,4-dien-4-yl]-4-N-methylbenzene-1,4-diamine is C/C=C(OC)\C(=C/CC)N(C)c1ccc(N)cc1.
What is the InChIKey of 4-N-[(2E,4E)-3-methoxyhepta-2,4-dien-4-yl]-4-N-methylbenzene-1,4-diamine?
The InChIKey is UXPRXFUBWHZDRO-UWQNIFAVSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-7-14(15(6-2)18-4)17(3)13-10-8-12(16)9-11-13/h6-11H,5,16H2,1-4H3/b14-7+,15-6+.
What are the key properties of 4-N-[(2E,4E)-3-methoxyhepta-2,4-dien-4-yl]-4-N-methylbenzene-1,4-diamine?
4-N-[(2E,4E)-3-methoxyhepta-2,4-dien-4-yl]-4-N-methylbenzene-1,4-diamine has a molecular weight of 246.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2E,4E)-3-methoxyhepta-2,4-dien-4-yl]-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 155697338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).