2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide

C12H19N3O — CID 63682985

IUPAC2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)CNCC1CC2CCC1C2
InChIInChI=1S/C12H19N3O/c13-3-4-15-12(16)8-14-7-11-6-9-1-2-10(11)5-9/h9-11,14H,1-2,4-8H2,(H,15,16)
InChIKeyQKBWGCCTSYZGCU-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.65
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide

2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide (PubChem CID 63682985) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide
PubChem CID63682985
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)CNCC1CC2CCC1C2
InChIInChI=1S/C12H19N3O/c13-3-4-15-12(16)8-14-7-11-6-9-1-2-10(11)5-9/h9-11,14H,1-2,4-8H2,(H,15,16)
InChIKeyQKBWGCCTSYZGCU-UHFFFAOYSA-N
XLogP0.65
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide 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

N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
CID 28566856
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 63683659
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-cycloheptylacetamide
CID 63683149
2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 63681966
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N,N-diethylacetamide
CID 63683853
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(oxan-4-yl)acetamide
CID 55232432
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(4-methoxyphenyl)acetamide
CID 63682993
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-oxobutanamide
CID 98153784
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-cyanopropyl)acetamide
CID 55209376
methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate
CID 79623458
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide (CID 63682985) is 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide is N#CCNC(=O)CNCC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide?
The InChIKey is QKBWGCCTSYZGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-3-4-15-12(16)8-14-7-11-6-9-1-2-10(11)5-9/h9-11,14H,1-2,4-8H2,(H,15,16).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide?
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide has a molecular weight of 221.30 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide is sourced from PubChem (CID 63682985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).