(2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide

C10H18N2O — CID 166777668

IUPAC(2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide
SMILESC=NC(=O)[C@H](N)CC1CCCCC1
InChIInChI=1S/C10H18N2O/c1-12-10(13)9(11)7-8-5-3-2-4-6-8/h8-9H,1-7,11H2/t9-/m1/s1
InChIKeyOYROMDICQPLQPI-SECBINFHSA-N
MW182.27 g/mol
LogP1.51
Rot. Bonds3

About (2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide

(2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide (PubChem CID 166777668) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide
PubChem CID166777668
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide
SMILESC=NC(=O)[C@H](N)CC1CCCCC1
InChIInChI=1S/C10H18N2O/c1-12-10(13)9(11)7-8-5-3-2-4-6-8/h8-9H,1-7,11H2/t9-/m1/s1
InChIKeyOYROMDICQPLQPI-SECBINFHSA-N
XLogP1.51
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-cyclohexylbutan-2-one
CID 20668322
2-amino-3-cyclopropyl-N-oxopropanamide
CID 143351908
(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 121368311
2-amino-3-cyclohexyl-N,N-dimethylpropanamide
CID 83618462
4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentanoic acid
CID 19840695
2-amino-3-cyclobutylpropanamide
CID 65458295
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
tert-butyl 2-amino-3-cyclohexylpropanoate
CID 20814860
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006
(2S)-2-amino-3-cyclopentyl-N-cyclopropylpropanamide;hydrochloride
CID 118704811

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide?
The IUPAC name of (2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide (CID 166777668) is (2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide.
What is the SMILES notation for (2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide?
The canonical SMILES for (2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide is C=NC(=O)[C@H](N)CC1CCCCC1.
What is the InChIKey of (2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide?
The InChIKey is OYROMDICQPLQPI-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N2O/c1-12-10(13)9(11)7-8-5-3-2-4-6-8/h8-9H,1-7,11H2/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide?
(2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide has a molecular weight of 182.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-cyclohexyl-N-methylidenepropanamide is sourced from PubChem (CID 166777668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).