phenyl 2-cyclohexyl-2-(diaminomethylideneamino)acetate

C15H21N3O2 — CID 174535676

IUPACphenyl 2-cyclohexyl-2-(diaminomethylideneamino)acetate
SMILESNC(N)=NC(C(=O)Oc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H21N3O2/c16-15(17)18-13(11-7-3-1-4-8-11)14(19)20-12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2,(H4,16,17,18)
InChIKeyHSIQOSLJNFZKRZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.81
Rot. Bonds4

About phenyl 2-cyclohexyl-2-(diaminomethylideneamino)acetate

phenyl 2-cyclohexyl-2-(diaminomethylideneamino)acetate (PubChem CID 174535676) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is phenyl 2-cyclohexyl-2-(diaminomethylideneamino)acetate.

Molecular Properties

Compound Namephenyl 2-cyclohexyl-2-(diaminomethylideneamino)acetate
PubChem CID174535676
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Namephenyl 2-cyclohexyl-2-(diaminomethylideneamino)acetate
SMILESNC(N)=NC(C(=O)Oc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H21N3O2/c16-15(17)18-13(11-7-3-1-4-8-11)14(19)20-12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2,(H4,16,17,18)
InChIKeyHSIQOSLJNFZKRZ-UHFFFAOYSA-N
XLogP1.81
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.81
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': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

diphenyl 2-cyclopentylpropanedioate
CID 102478722
phenyl 3-cyclohexyl-3-hydroxy-2-methylpropanoate
CID 72790163
phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 61124032
phenyl (2R,3R)-3-cyclohexyl-3-hydroxy-2-(phenylsulfanylmethyl)propanoate
CID 101440660
phenyl N-cyclooctylcarbamate
CID 60636968
hydron;phenyl cycloheptanecarboxylate
CID 174768034
phenyl (3S)-3-cyclohexylpentanoate
CID 157293682
trans-diphenyl (1R,2R)-cyclohexane-1,2-dicarboxylate
CID 15685593
phenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate
CID 135154221
phenyl N-cyclopentylcarbamate
CID 12791466
1-O-(diaminomethylideneamino) 4-O-phenyl 2,3-dihydroxybutanedioate
CID 88685199
phenyl 2-bromo-2-chloroacetate
CID 174609883

Frequently Asked Questions

What is the IUPAC name of phenyl 2-cyclohexyl-2-(diaminomethylideneamino)acetate?
The IUPAC name of phenyl 2-cyclohexyl-2-(diaminomethylideneamino)acetate (CID 174535676) is phenyl 2-cyclohexyl-2-(diaminomethylideneamino)acetate.
What is the SMILES notation for phenyl 2-cyclohexyl-2-(diaminomethylideneamino)acetate?
The canonical SMILES for phenyl 2-cyclohexyl-2-(diaminomethylideneamino)acetate is NC(N)=NC(C(=O)Oc1ccccc1)C1CCCCC1.
What is the InChIKey of phenyl 2-cyclohexyl-2-(diaminomethylideneamino)acetate?
The InChIKey is HSIQOSLJNFZKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-15(17)18-13(11-7-3-1-4-8-11)14(19)20-12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2,(H4,16,17,18).
What are the key properties of phenyl 2-cyclohexyl-2-(diaminomethylideneamino)acetate?
phenyl 2-cyclohexyl-2-(diaminomethylideneamino)acetate has a molecular weight of 275.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-cyclohexyl-2-(diaminomethylideneamino)acetate is sourced from PubChem (CID 174535676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).