(2S)-2-amino-3-cyclohexyl-N-methyl-N-pent-4-enylpropanamide

C15H28N2O — CID 70248262

IUPAC(2S)-2-amino-3-cyclohexyl-N-methyl-N-pent-4-enylpropanamide
SMILESC=CCCCN(C)C(=O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C15H28N2O/c1-3-4-8-11-17(2)15(18)14(16)12-13-9-6-5-7-10-13/h3,13-14H,1,4-12,16H2,2H3/t14-/m0/s1
InChIKeyDUFDDLDGDACABW-AWEZNQCLSA-N
MW252.40 g/mol
LogP2.71
Rot. Bonds7

About (2S)-2-amino-3-cyclohexyl-N-methyl-N-pent-4-enylpropanamide

(2S)-2-amino-3-cyclohexyl-N-methyl-N-pent-4-enylpropanamide (PubChem CID 70248262) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclohexyl-N-methyl-N-pent-4-enylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclohexyl-N-methyl-N-pent-4-enylpropanamide
PubChem CID70248262
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(2S)-2-amino-3-cyclohexyl-N-methyl-N-pent-4-enylpropanamide
SMILESC=CCCCN(C)C(=O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C15H28N2O/c1-3-4-8-11-17(2)15(18)14(16)12-13-9-6-5-7-10-13/h3,13-14H,1,4-12,16H2,2H3/t14-/m0/s1
InChIKeyDUFDDLDGDACABW-AWEZNQCLSA-N
XLogP2.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclohexyl-N-methyl-N-pent-4-enylpropanamide?
The IUPAC name of (2S)-2-amino-3-cyclohexyl-N-methyl-N-pent-4-enylpropanamide (CID 70248262) is (2S)-2-amino-3-cyclohexyl-N-methyl-N-pent-4-enylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-cyclohexyl-N-methyl-N-pent-4-enylpropanamide?
The canonical SMILES for (2S)-2-amino-3-cyclohexyl-N-methyl-N-pent-4-enylpropanamide is C=CCCCN(C)C(=O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (2S)-2-amino-3-cyclohexyl-N-methyl-N-pent-4-enylpropanamide?
The InChIKey is DUFDDLDGDACABW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-4-8-11-17(2)15(18)14(16)12-13-9-6-5-7-10-13/h3,13-14H,1,4-12,16H2,2H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclohexyl-N-methyl-N-pent-4-enylpropanamide?
(2S)-2-amino-3-cyclohexyl-N-methyl-N-pent-4-enylpropanamide has a molecular weight of 252.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclohexyl-N-methyl-N-pent-4-enylpropanamide is sourced from PubChem (CID 70248262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).