N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide

C8H13N3O — CID 28566856

IUPACN-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
SMILESN#CCNC(=O)CNCC1CC1
InChIInChI=1S/C8H13N3O/c9-3-4-11-8(12)6-10-5-7-1-2-7/h7,10H,1-2,4-6H2,(H,11,12)
InChIKeyUZLOQVPBVDMJHS-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.37
Rot. Bonds5

About N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide

N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide (PubChem CID 28566856) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
PubChem CID28566856
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
SMILESN#CCNC(=O)CNCC1CC1
InChIInChI=1S/C8H13N3O/c9-3-4-11-8(12)6-10-5-7-1-2-7/h7,10H,1-2,4-6H2,(H,11,12)
InChIKeyUZLOQVPBVDMJHS-UHFFFAOYSA-N
XLogP-0.37
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide
CID 63682985
N-(cyanomethyl)-2-cyclopentylacetamide
CID 60896119
N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847348
N-(cyanomethyl)-2-formamidoacetamide
CID 143975878
N-(2-acetamidoethyl)-2-(cyclopropylmethylamino)acetamide
CID 60867423
2-(cyclopropylmethylamino)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65107560
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide
CID 43153290
N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide
CID 102698102
N-(cyanomethyl)-2-(cyclohexylamino)acetamide
CID 28565070
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 112701684
2-(cyclopropylmethylamino)-N-(3-cyclopropylpropyl)acetamide
CID 115740556

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide (CID 28566856) is N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide is N#CCNC(=O)CNCC1CC1.
What is the InChIKey of N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide?
The InChIKey is UZLOQVPBVDMJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-3-4-11-8(12)6-10-5-7-1-2-7/h7,10H,1-2,4-6H2,(H,11,12).
What are the key properties of N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide?
N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide has a molecular weight of 167.21 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 28566856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).