2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide

C16H25N3O — CID 96554230

IUPAC2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide
SMILESCN(Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)CN
InChIInChI=1S/C16H25N3O/c1-19(12-13-7-3-2-4-8-13)15-10-6-5-9-14(15)18-16(20)11-17/h2-4,7-8,14-15H,5-6,9-12,17H2,1H3,(H,18,20)/t14-,15+/m0/s1
InChIKeyIVYFRJJQWNLGJP-LSDHHAIUSA-N
MW275.40 g/mol
LogP1.50
Rot. Bonds5

About 2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide

2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide (PubChem CID 96554230) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide
PubChem CID96554230
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide
SMILESCN(Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)CN
InChIInChI=1S/C16H25N3O/c1-19(12-13-7-3-2-4-8-13)15-10-6-5-9-14(15)18-16(20)11-17/h2-4,7-8,14-15H,5-6,9-12,17H2,1H3,(H,18,20)/t14-,15+/m0/s1
InChIKeyIVYFRJJQWNLGJP-LSDHHAIUSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide?
The IUPAC name of 2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide (CID 96554230) is 2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide.
What is the SMILES notation for 2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide?
The canonical SMILES for 2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide is CN(Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)CN.
What is the InChIKey of 2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide?
The InChIKey is IVYFRJJQWNLGJP-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(12-13-7-3-2-4-8-13)15-10-6-5-9-14(15)18-16(20)11-17/h2-4,7-8,14-15H,5-6,9-12,17H2,1H3,(H,18,20)/t14-,15+/m0/s1.
What are the key properties of 2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide?
2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide is sourced from PubChem (CID 96554230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).