2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine

C14H16N4O — CID 71670095

IUPAC2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine
SMILESCCOc1ccc2ccccc2c1/C=N/N=C(N)N
InChIInChI=1S/C14H16N4O/c1-2-19-13-8-7-10-5-3-4-6-11(10)12(13)9-17-18-14(15)16/h3-9H,2H2,1H3,(H4,15,16,18)/b17-9+
InChIKeyYCVMLWBCLFXJLH-RQZCQDPDSA-N
MW256.31 g/mol
LogP1.85
Rot. Bonds4

About 2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine

2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine (PubChem CID 71670095) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine
PubChem CID71670095
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine
SMILESCCOc1ccc2ccccc2c1/C=N/N=C(N)N
InChIInChI=1S/C14H16N4O/c1-2-19-13-8-7-10-5-3-4-6-11(10)12(13)9-17-18-14(15)16/h3-9H,2H2,1H3,(H4,15,16,18)/b17-9+
InChIKeyYCVMLWBCLFXJLH-RQZCQDPDSA-N
XLogP1.85
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-methylmethanamine
CID 110338371
(Z)-1-(2-ethoxynaphthalen-1-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 7638517
1-(2-ethoxynaphthalen-1-yl)-N-(4-ethylphenyl)methanimine
CID 3549672
2-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine
CID 2716681
4-[(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 3940132
[[2-(2-methoxyethoxy)naphthalen-1-yl]methylideneamino]thiourea
CID 168535833
2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 7240387
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 9359476
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
CID 133169592
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 5334451
1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea
CID 926829
(2S)-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 871144

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine (CID 71670095) is 2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine is CCOc1ccc2ccccc2c1/C=N/N=C(N)N.
What is the InChIKey of 2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine?
The InChIKey is YCVMLWBCLFXJLH-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-19-13-8-7-10-5-3-4-6-11(10)12(13)9-17-18-14(15)16/h3-9H,2H2,1H3,(H4,15,16,18)/b17-9+.
What are the key properties of 2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine?
2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine has a molecular weight of 256.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]guanidine is sourced from PubChem (CID 71670095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).