(2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide

C13H24N2O — CID 119324158

IUPAC(2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide
SMILESC=CCN(CC1CCCCC1)C(=O)[C@H](C)N
InChIInChI=1S/C13H24N2O/c1-3-9-15(13(16)11(2)14)10-12-7-5-4-6-8-12/h3,11-12H,1,4-10,14H2,2H3/t11-/m0/s1
InChIKeyZSTXPLBOOJYQFK-NSHDSACASA-N
MW224.35 g/mol
LogP1.93
Rot. Bonds5

About (2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide

(2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide (PubChem CID 119324158) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide
PubChem CID119324158
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide
SMILESC=CCN(CC1CCCCC1)C(=O)[C@H](C)N
InChIInChI=1S/C13H24N2O/c1-3-9-15(13(16)11(2)14)10-12-7-5-4-6-8-12/h3,11-12H,1,4-10,14H2,2H3/t11-/m0/s1
InChIKeyZSTXPLBOOJYQFK-NSHDSACASA-N
XLogP1.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide?
The IUPAC name of (2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide (CID 119324158) is (2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide is C=CCN(CC1CCCCC1)C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide?
The InChIKey is ZSTXPLBOOJYQFK-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-9-15(13(16)11(2)14)10-12-7-5-4-6-8-12/h3,11-12H,1,4-10,14H2,2H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide?
(2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide has a molecular weight of 224.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 119324158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).