(2R)-2-(1-aminoethylideneamino)-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide

C13H23N3O2 — CID 163444289

IUPAC(2R)-2-(1-aminoethylideneamino)-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide
SMILESCOC[C@@H](/N=C(\C)N)C(=O)NCC1CC=CCC1
InChIInChI=1S/C13H23N3O2/c1-10(14)16-12(9-18-2)13(17)15-8-11-6-4-3-5-7-11/h3-4,11-12H,5-9H2,1-2H3,(H2,14,16)(H,15,17)/t11?,12-/m1/s1
InChIKeyBBEMCMCZTULGFY-PIJUOVFKSA-N
MW253.35 g/mol
LogP0.85
Rot. Bonds6

About (2R)-2-(1-aminoethylideneamino)-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide

(2R)-2-(1-aminoethylideneamino)-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide (PubChem CID 163444289) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (2R)-2-(1-aminoethylideneamino)-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide.

Molecular Properties

Compound Name(2R)-2-(1-aminoethylideneamino)-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide
PubChem CID163444289
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(2R)-2-(1-aminoethylideneamino)-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide
SMILESCOC[C@@H](/N=C(\C)N)C(=O)NCC1CC=CCC1
InChIInChI=1S/C13H23N3O2/c1-10(14)16-12(9-18-2)13(17)15-8-11-6-4-3-5-7-11/h3-4,11-12H,5-9H2,1-2H3,(H2,14,16)(H,15,17)/t11?,12-/m1/s1
InChIKeyBBEMCMCZTULGFY-PIJUOVFKSA-N
XLogP0.85
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.85
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-aminoethylideneamino)-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide?
The IUPAC name of (2R)-2-(1-aminoethylideneamino)-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide (CID 163444289) is (2R)-2-(1-aminoethylideneamino)-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide.
What is the SMILES notation for (2R)-2-(1-aminoethylideneamino)-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide?
The canonical SMILES for (2R)-2-(1-aminoethylideneamino)-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide is COC[C@@H](/N=C(\C)N)C(=O)NCC1CC=CCC1.
What is the InChIKey of (2R)-2-(1-aminoethylideneamino)-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide?
The InChIKey is BBEMCMCZTULGFY-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(14)16-12(9-18-2)13(17)15-8-11-6-4-3-5-7-11/h3-4,11-12H,5-9H2,1-2H3,(H2,14,16)(H,15,17)/t11?,12-/m1/s1.
What are the key properties of (2R)-2-(1-aminoethylideneamino)-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide?
(2R)-2-(1-aminoethylideneamino)-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide has a molecular weight of 253.35 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-aminoethylideneamino)-N-(cyclohex-3-en-1-ylmethyl)-3-methoxypropanamide is sourced from PubChem (CID 163444289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).