2-amino-N-(3-cyanopropyl)acetamide

C6H11N3O — CID 62666255

IUPAC2-amino-N-(3-cyanopropyl)acetamide
SMILESN#CCCCNC(=O)CN
InChIInChI=1S/C6H11N3O/c7-3-1-2-4-9-6(10)5-8/h1-2,4-5,8H2,(H,9,10)
InChIKeyVLUFMIPDSOMZJP-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.63
Rot. Bonds4

About 2-amino-N-(3-cyanopropyl)acetamide

2-amino-N-(3-cyanopropyl)acetamide (PubChem CID 62666255) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-amino-N-(3-cyanopropyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-cyanopropyl)acetamide
PubChem CID62666255
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-amino-N-(3-cyanopropyl)acetamide
SMILESN#CCCCNC(=O)CN
InChIInChI=1S/C6H11N3O/c7-3-1-2-4-9-6(10)5-8/h1-2,4-5,8H2,(H,9,10)
InChIKeyVLUFMIPDSOMZJP-UHFFFAOYSA-N
XLogP-0.63
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyanopropylurea
CID 62667023
4-amino-N-(3-cyanopropyl)-3-methylbutanamide
CID 81080393
5-amino-N-(3-cyanopropyl)-4-methylpentanamide
CID 82010988
2-amino-N-(3-cyanopropyl)propanamide
CID 62666254
N-(3-cyanopropyl)-2-ethoxyacetamide
CID 62668485
N-(3-cyanopropyl)-3,4,4-trimethylpentanamide
CID 63832913
2-amino-N-(3-cyanopropyl)butanamide
CID 62666454
acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide
CID 54606253
N-(3-cyanopropyl)but-2-ynamide
CID 130918641
N-(3-cyanopropyl)-3,5,5-trimethylhexanamide
CID 62666428
2-amino-N-[8-(methylamino)octyl]acetamide
CID 154671547
2-amino-N-[8-(propan-2-ylamino)octyl]acetamide
CID 154670935

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyanopropyl)acetamide?
The IUPAC name of 2-amino-N-(3-cyanopropyl)acetamide (CID 62666255) is 2-amino-N-(3-cyanopropyl)acetamide.
What is the SMILES notation for 2-amino-N-(3-cyanopropyl)acetamide?
The canonical SMILES for 2-amino-N-(3-cyanopropyl)acetamide is N#CCCCNC(=O)CN.
What is the InChIKey of 2-amino-N-(3-cyanopropyl)acetamide?
The InChIKey is VLUFMIPDSOMZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c7-3-1-2-4-9-6(10)5-8/h1-2,4-5,8H2,(H,9,10).
What are the key properties of 2-amino-N-(3-cyanopropyl)acetamide?
2-amino-N-(3-cyanopropyl)acetamide has a molecular weight of 141.17 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyanopropyl)acetamide is sourced from PubChem (CID 62666255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).