2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide

C10H19N3O — CID 130763606

IUPAC2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide
SMILESCNC(=O)CN1[C@H]2CCNC[C@@H]1CC2
InChIInChI=1S/C10H19N3O/c1-11-10(14)7-13-8-2-3-9(13)6-12-5-4-8/h8-9,12H,2-7H2,1H3,(H,11,14)/t8-,9+/m1/s1
InChIKeyHQGWECWYINLJBB-BDAKNGLRSA-N
MW197.28 g/mol
LogP-0.44
Rot. Bonds2

About 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide

2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide (PubChem CID 130763606) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide
PubChem CID130763606
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide
SMILESCNC(=O)CN1[C@H]2CCNC[C@@H]1CC2
InChIInChI=1S/C10H19N3O/c1-11-10(14)7-13-8-2-3-9(13)6-12-5-4-8/h8-9,12H,2-7H2,1H3,(H,11,14)/t8-,9+/m1/s1
InChIKeyHQGWECWYINLJBB-BDAKNGLRSA-N
XLogP-0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-methylacetamide
CID 63768000
3-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]propanoic acid
CID 130884712
1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-2-(methylamino)ethanone;hydrochloride
CID 131107513
N-methyl-2-(piperidin-4-ylmethylamino)acetamide
CID 79708074
tert-butyl (1R)-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
CID 118214329
N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 62674057
1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone
CID 59172058
2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide
CID 59404509
9-[(1-methylcyclopropyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 131160169
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
(3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 94915781
2-ethoxy-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 79685871

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide?
The IUPAC name of 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide (CID 130763606) is 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide?
The canonical SMILES for 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide is CNC(=O)CN1[C@H]2CCNC[C@@H]1CC2.
What is the InChIKey of 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide?
The InChIKey is HQGWECWYINLJBB-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19N3O/c1-11-10(14)7-13-8-2-3-9(13)6-12-5-4-8/h8-9,12H,2-7H2,1H3,(H,11,14)/t8-,9+/m1/s1.
What are the key properties of 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide?
2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide has a molecular weight of 197.28 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide is sourced from PubChem (CID 130763606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).