N,4-dimethyl-2-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]aniline;1-(2-propoxyethoxy)propane

C23H38N2O2 — CID 165127244

IUPACN,4-dimethyl-2-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]aniline;1-(2-propoxyethoxy)propane
SMILESC=C(C(=C/C)/C=N/C)c1cc(C)ccc1NC.CCCOCCOCCC
InChIInChI=1S/C15H20N2.C8H18O2/c1-6-13(10-16-4)12(3)14-9-11(2)7-8-15(14)17-5;1-3-5-9-7-8-10-6-4-2/h6-10,17H,3H2,1-2,4-5H3;3-8H2,1-2H3/b13-6+,16-10+;
InChIKeyVENYGWZLJLENPW-KNIAEAGVSA-N
MW374.57 g/mol
LogP5.54
Rot. Bonds11

About N,4-dimethyl-2-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]aniline;1-(2-propoxyethoxy)propane

N,4-dimethyl-2-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]aniline;1-(2-propoxyethoxy)propane (PubChem CID 165127244) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is N,4-dimethyl-2-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]aniline;1-(2-propoxyethoxy)propane.

Molecular Properties

Compound NameN,4-dimethyl-2-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]aniline;1-(2-propoxyethoxy)propane
PubChem CID165127244
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC NameN,4-dimethyl-2-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]aniline;1-(2-propoxyethoxy)propane
SMILESC=C(C(=C/C)/C=N/C)c1cc(C)ccc1NC.CCCOCCOCCC
InChIInChI=1S/C15H20N2.C8H18O2/c1-6-13(10-16-4)12(3)14-9-11(2)7-8-15(14)17-5;1-3-5-9-7-8-10-6-4-2/h6-10,17H,3H2,1-2,4-5H3;3-8H2,1-2H3/b13-6+,16-10+;
InChIKeyVENYGWZLJLENPW-KNIAEAGVSA-N
XLogP5.54
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]aniline;1-(2-propoxyethoxy)propane?
The IUPAC name of N,4-dimethyl-2-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]aniline;1-(2-propoxyethoxy)propane (CID 165127244) is N,4-dimethyl-2-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]aniline;1-(2-propoxyethoxy)propane.
What is the SMILES notation for N,4-dimethyl-2-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]aniline;1-(2-propoxyethoxy)propane?
The canonical SMILES for N,4-dimethyl-2-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]aniline;1-(2-propoxyethoxy)propane is C=C(C(=C/C)/C=N/C)c1cc(C)ccc1NC.CCCOCCOCCC.
What is the InChIKey of N,4-dimethyl-2-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]aniline;1-(2-propoxyethoxy)propane?
The InChIKey is VENYGWZLJLENPW-KNIAEAGVSA-N. The full InChI is InChI=1S/C15H20N2.C8H18O2/c1-6-13(10-16-4)12(3)14-9-11(2)7-8-15(14)17-5;1-3-5-9-7-8-10-6-4-2/h6-10,17H,3H2,1-2,4-5H3;3-8H2,1-2H3/b13-6+,16-10+;.
What are the key properties of N,4-dimethyl-2-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]aniline;1-(2-propoxyethoxy)propane?
N,4-dimethyl-2-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]aniline;1-(2-propoxyethoxy)propane has a molecular weight of 374.57 g/mol, XLogP of 5.54, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]aniline;1-(2-propoxyethoxy)propane is sourced from PubChem (CID 165127244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).