N-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide

C11H20N2O — CID 130723814

IUPACN-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide
SMILESC[C@H](CN)NC(=O)C=C1CCCCC1
InChIInChI=1S/C11H20N2O/c1-9(8-12)13-11(14)7-10-5-3-2-4-6-10/h7,9H,2-6,8,12H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyZVQCYIKJCJVNFT-SECBINFHSA-N
MW196.29 g/mol
LogP1.34
Rot. Bonds3

About N-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide

N-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide (PubChem CID 130723814) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide
PubChem CID130723814
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide
SMILESC[C@H](CN)NC(=O)C=C1CCCCC1
InChIInChI=1S/C11H20N2O/c1-9(8-12)13-11(14)7-10-5-3-2-4-6-10/h7,9H,2-6,8,12H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyZVQCYIKJCJVNFT-SECBINFHSA-N
XLogP1.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide (CID 130723814) is N-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide is C[C@H](CN)NC(=O)C=C1CCCCC1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide?
The InChIKey is ZVQCYIKJCJVNFT-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(8-12)13-11(14)7-10-5-3-2-4-6-10/h7,9H,2-6,8,12H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide?
N-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide has a molecular weight of 196.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-2-cyclohexylideneacetamide is sourced from PubChem (CID 130723814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).