1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]naphthalen-2-ol

C19H25N2O2+ — CID 135596299

IUPAC1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]naphthalen-2-ol
SMILESCC(C)(C/N=C/c1c(O)ccc2ccccc12)[NH+]1CCOCC1
InChIInChI=1S/C19H24N2O2/c1-19(2,21-9-11-23-12-10-21)14-20-13-17-16-6-4-3-5-15(16)7-8-18(17)22/h3-8,13,22H,9-12,14H2,1-2H3/p+1/b20-13+
InChIKeyMJBIUNULQXKNOV-DEDYPNTBSA-O
MW313.42 g/mol
LogP1.66
Rot. Bonds4

About 1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]naphthalen-2-ol

1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]naphthalen-2-ol (PubChem CID 135596299) has the molecular formula C19H25N2O2+ and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]naphthalen-2-ol
PubChem CID135596299
Molecular FormulaC19H25N2O2+
Molecular Weight313.42 g/mol
Exact Mass313.19
IUPAC Name1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]naphthalen-2-ol
SMILESCC(C)(C/N=C/c1c(O)ccc2ccccc12)[NH+]1CCOCC1
InChIInChI=1S/C19H24N2O2/c1-19(2,21-9-11-23-12-10-21)14-20-13-17-16-6-4-3-5-15(16)7-8-18(17)22/h3-8,13,22H,9-12,14H2,1-2H3/p+1/b20-13+
InChIKeyMJBIUNULQXKNOV-DEDYPNTBSA-O
XLogP1.66
TPSA46.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol
CID 136675821
1-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]iminomethyl]naphthalen-2-ol
CID 135758566
1-[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]naphthalen-2-ol
CID 5246475
1-(pentyliminomethyl)naphthalen-2-ol
CID 137231972
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[[(2S)-oxolan-2-yl]methyliminomethyl]naphthalen-2-ol
CID 691470
1-[(4-morpholin-4-ylphenyl)iminomethyl]naphthalen-2-ol
CID 790983
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol
CID 137270230
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3,3-dimethylbutanoic acid
CID 135445295
1-(morpholin-4-ium-4-ylmethyl)naphthalen-2-ol
CID 6927732
1-[(2-fluorophenyl)methyliminomethyl]naphthalen-2-ol
CID 135595992

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]naphthalen-2-ol (CID 135596299) is 1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]naphthalen-2-ol is CC(C)(C/N=C/c1c(O)ccc2ccccc12)[NH+]1CCOCC1.
What is the InChIKey of 1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]naphthalen-2-ol?
The InChIKey is MJBIUNULQXKNOV-DEDYPNTBSA-O. The full InChI is InChI=1S/C19H24N2O2/c1-19(2,21-9-11-23-12-10-21)14-20-13-17-16-6-4-3-5-15(16)7-8-18(17)22/h3-8,13,22H,9-12,14H2,1-2H3/p+1/b20-13+.
What are the key properties of 1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]naphthalen-2-ol?
1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]naphthalen-2-ol has a molecular weight of 313.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 135596299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).