N-[2-(dimethylamino)ethoxy]-5-methyl-1-phenylhexa-1,3-dien-3-amine

C17H26N2O — CID 57060574

IUPACN-[2-(dimethylamino)ethoxy]-5-methyl-1-phenylhexa-1,3-dien-3-amine
SMILESCC(C)C=C(C=Cc1ccccc1)NOCCN(C)C
InChIInChI=1S/C17H26N2O/c1-15(2)14-17(18-20-13-12-19(3)4)11-10-16-8-6-5-7-9-16/h5-11,14-15,18H,12-13H2,1-4H3
InChIKeyXAMNHSCNGOOXEZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.32
Rot. Bonds8

About N-[2-(dimethylamino)ethoxy]-5-methyl-1-phenylhexa-1,3-dien-3-amine

N-[2-(dimethylamino)ethoxy]-5-methyl-1-phenylhexa-1,3-dien-3-amine (PubChem CID 57060574) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethoxy]-5-methyl-1-phenylhexa-1,3-dien-3-amine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethoxy]-5-methyl-1-phenylhexa-1,3-dien-3-amine
PubChem CID57060574
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[2-(dimethylamino)ethoxy]-5-methyl-1-phenylhexa-1,3-dien-3-amine
SMILESCC(C)C=C(C=Cc1ccccc1)NOCCN(C)C
InChIInChI=1S/C17H26N2O/c1-15(2)14-17(18-20-13-12-19(3)4)11-10-16-8-6-5-7-9-16/h5-11,14-15,18H,12-13H2,1-4H3
InChIKeyXAMNHSCNGOOXEZ-UHFFFAOYSA-N
XLogP3.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethoxy]-6-[(4-fluorophenyl)methylidene]-2-heptylcyclohexen-1-amine
CID 56975572
N-[(2R)-3-(dimethylamino)-2-methylpropoxy]-6-[(4-fluorophenyl)methylidene]-2-methylcyclohexen-1-amine
CID 57142195
1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hepta-1,3-dien-3-amine
CID 57265218
2-(benzylamino)oxy-N,N-dimethylethanamine
CID 17845633
6-[dimethylamino(phenyl)methylidene]-N-ethoxycyclohexa-1,3-dien-1-amine
CID 53736280
6-benzylidene-N-butyl-N-ethoxycyclohexa-1,3-dien-1-amine
CID 53813443
8-benzylidene-N-[3-(dimethylamino)propoxy]cycloocten-1-amine
CID 56613452
6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine
CID 56616499
7-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohepten-1-amine
CID 56619636
2-benzyl-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine
CID 56620102
7-benzylidene-N-[2-(dimethylamino)ethoxy]cyclohepten-1-amine
CID 56632806
6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine
CID 56635333

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethoxy]-5-methyl-1-phenylhexa-1,3-dien-3-amine?
The IUPAC name of N-[2-(dimethylamino)ethoxy]-5-methyl-1-phenylhexa-1,3-dien-3-amine (CID 57060574) is N-[2-(dimethylamino)ethoxy]-5-methyl-1-phenylhexa-1,3-dien-3-amine.
What is the SMILES notation for N-[2-(dimethylamino)ethoxy]-5-methyl-1-phenylhexa-1,3-dien-3-amine?
The canonical SMILES for N-[2-(dimethylamino)ethoxy]-5-methyl-1-phenylhexa-1,3-dien-3-amine is CC(C)C=C(C=Cc1ccccc1)NOCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethoxy]-5-methyl-1-phenylhexa-1,3-dien-3-amine?
The InChIKey is XAMNHSCNGOOXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-15(2)14-17(18-20-13-12-19(3)4)11-10-16-8-6-5-7-9-16/h5-11,14-15,18H,12-13H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethoxy]-5-methyl-1-phenylhexa-1,3-dien-3-amine?
N-[2-(dimethylamino)ethoxy]-5-methyl-1-phenylhexa-1,3-dien-3-amine has a molecular weight of 274.41 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethoxy]-5-methyl-1-phenylhexa-1,3-dien-3-amine is sourced from PubChem (CID 57060574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).