2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide

C9H16N4O — CID 115312682

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)CN1CCCC1CN
InChIInChI=1S/C9H16N4O/c10-3-4-12-9(14)7-13-5-1-2-8(13)6-11/h8H,1-2,4-7,11H2,(H,12,14)
InChIKeyFOVNKWJTBCMSLK-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.95
Rot. Bonds4

About 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide (PubChem CID 115312682) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide
PubChem CID115312682
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)CN1CCCC1CN
InChIInChI=1S/C9H16N4O/c10-3-4-12-9(14)7-13-5-1-2-8(13)6-11/h8H,1-2,4-7,11H2,(H,12,14)
InChIKeyFOVNKWJTBCMSLK-UHFFFAOYSA-N
XLogP-0.95
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 63759548
methyl 1-[2-(cyanomethylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027282
N-(2-cyanoethyl)-2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 113321912
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopentylacetamide
CID 63760691
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119926962
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 81492867
2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492406
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119926969
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone
CID 82505741
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride
CID 119927076
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 81492966
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 81493296

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide (CID 115312682) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide is N#CCNC(=O)CN1CCCC1CN.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide?
The InChIKey is FOVNKWJTBCMSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c10-3-4-12-9(14)7-13-5-1-2-8(13)6-11/h8H,1-2,4-7,11H2,(H,12,14).
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide?
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide has a molecular weight of 196.25 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide is sourced from PubChem (CID 115312682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).