N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-N-methylmethanamine

C16H26N2O2 — CID 110339972

IUPACN-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-N-methylmethanamine
SMILESCCCCCOc1ccc(/C=N/N(C)C)cc1OCC
InChIInChI=1S/C16H26N2O2/c1-5-7-8-11-20-15-10-9-14(13-17-18(3)4)12-16(15)19-6-2/h9-10,12-13H,5-8,11H2,1-4H3/b17-13+
InChIKeyRULIZBNYKGQKMV-GHRIWEEISA-N
MW278.40 g/mol
LogP3.55
Rot. Bonds9

About N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-N-methylmethanamine

N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-N-methylmethanamine (PubChem CID 110339972) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-N-methylmethanamine
PubChem CID110339972
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-N-methylmethanamine
SMILESCCCCCOc1ccc(/C=N/N(C)C)cc1OCC
InChIInChI=1S/C16H26N2O2/c1-5-7-8-11-20-15-10-9-14(13-17-18(3)4)12-16(15)19-6-2/h9-10,12-13H,5-8,11H2,1-4H3/b17-13+
InChIKeyRULIZBNYKGQKMV-GHRIWEEISA-N
XLogP3.55
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110507418
[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea
CID 112538734
N-[(E)-(3-bromo-4-propoxyphenyl)methylideneamino]-N-methylmethanamine
CID 110507419
[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110535880
2-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]guanidine
CID 112538748
2-[(4-butoxy-3-ethoxyphenyl)methylideneamino]guanidine
CID 168590622
3,4-di(tetradecoxy)benzaldehyde
CID 23127451
(E)-3-(3-ethoxy-4-pentoxyphenyl)prop-2-enoic acid
CID 9149606
1-[3,4-di(undecoxy)phenyl]-N-[4-[12-[4-[[3,4-di(undecoxy)phenyl]methylideneamino]phenoxy]dodecoxy]phenyl]methanimine
CID 100962289
N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 20986617
4-[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 112538462
[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
CID 7832387

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-N-methylmethanamine (CID 110339972) is N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-N-methylmethanamine is CCCCCOc1ccc(/C=N/N(C)C)cc1OCC.
What is the InChIKey of N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-N-methylmethanamine?
The InChIKey is RULIZBNYKGQKMV-GHRIWEEISA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-7-8-11-20-15-10-9-14(13-17-18(3)4)12-16(15)19-6-2/h9-10,12-13H,5-8,11H2,1-4H3/b17-13+.
What are the key properties of N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-N-methylmethanamine?
N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-N-methylmethanamine has a molecular weight of 278.40 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 110339972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).