sodium 4-[[(2-methoxyphenyl)methylideneamino]methyl]cyclohexane-1-carboxylate

C16H20NNaO3 — CID 23671406

IUPACsodium 4-[[(2-methoxyphenyl)methylideneamino]methyl]cyclohexane-1-carboxylate
SMILESCOc1ccccc1/C=N/CC1CCC(C(=O)[O-])CC1.[Na+]
InChIInChI=1S/C16H21NO3.Na/c1-20-15-5-3-2-4-14(15)11-17-10-12-6-8-13(9-7-12)16(18)19;/h2-5,11-13H,6-10H2,1H3,(H,18,19);/q;+1/p-1/b17-11+;
InChIKeyDFJGZSFUPNAQJD-SJDTYFKWSA-M
MW297.33 g/mol
LogP-1.33
Rot. Bonds5

About sodium 4-[[(2-methoxyphenyl)methylideneamino]methyl]cyclohexane-1-carboxylate

sodium 4-[[(2-methoxyphenyl)methylideneamino]methyl]cyclohexane-1-carboxylate (PubChem CID 23671406) has the molecular formula C16H20NNaO3 and a molecular weight of 297.33 g/mol. Its IUPAC name is sodium 4-[[(2-methoxyphenyl)methylideneamino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namesodium 4-[[(2-methoxyphenyl)methylideneamino]methyl]cyclohexane-1-carboxylate
PubChem CID23671406
Molecular FormulaC16H20NNaO3
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Namesodium 4-[[(2-methoxyphenyl)methylideneamino]methyl]cyclohexane-1-carboxylate
SMILESCOc1ccccc1/C=N/CC1CCC(C(=O)[O-])CC1.[Na+]
InChIInChI=1S/C16H21NO3.Na/c1-20-15-5-3-2-4-14(15)11-17-10-12-6-8-13(9-7-12)16(18)19;/h2-5,11-13H,6-10H2,1H3,(H,18,19);/q;+1/p-1/b17-11+;
InChIKeyDFJGZSFUPNAQJD-SJDTYFKWSA-M
XLogP-1.33
TPSA61.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-methoxyphenyl)methylideneamino]acetate
CID 4863442
3-(2-methoxyphenyl)prop-2-enyl cyclopropanecarboxylate
CID 54289019
2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 135730678
4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid
CID 120509651
2-[(E)-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478776
1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine
CID 11268143
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 8866772
dichloromethane;2,2-dimethylpropanoate;manganese(3+);2-methoxy-6-[3-[(3-methoxy-2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate
CID 139162468
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclobutanecarboxamide
CID 923591
1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one
CID 140987321
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289

Frequently Asked Questions

What is the IUPAC name of sodium 4-[[(2-methoxyphenyl)methylideneamino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of sodium 4-[[(2-methoxyphenyl)methylideneamino]methyl]cyclohexane-1-carboxylate (CID 23671406) is sodium 4-[[(2-methoxyphenyl)methylideneamino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for sodium 4-[[(2-methoxyphenyl)methylideneamino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for sodium 4-[[(2-methoxyphenyl)methylideneamino]methyl]cyclohexane-1-carboxylate is COc1ccccc1/C=N/CC1CCC(C(=O)[O-])CC1.[Na+].
What is the InChIKey of sodium 4-[[(2-methoxyphenyl)methylideneamino]methyl]cyclohexane-1-carboxylate?
The InChIKey is DFJGZSFUPNAQJD-SJDTYFKWSA-M. The full InChI is InChI=1S/C16H21NO3.Na/c1-20-15-5-3-2-4-14(15)11-17-10-12-6-8-13(9-7-12)16(18)19;/h2-5,11-13H,6-10H2,1H3,(H,18,19);/q;+1/p-1/b17-11+;.
What are the key properties of sodium 4-[[(2-methoxyphenyl)methylideneamino]methyl]cyclohexane-1-carboxylate?
sodium 4-[[(2-methoxyphenyl)methylideneamino]methyl]cyclohexane-1-carboxylate has a molecular weight of 297.33 g/mol, XLogP of -1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-[[(2-methoxyphenyl)methylideneamino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 23671406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).