N-(cyanomethyl)-2-(cyclohexylamino)acetamide

C10H17N3O — CID 28565070

IUPACN-(cyanomethyl)-2-(cyclohexylamino)acetamide
SMILESN#CCNC(=O)CNC1CCCCC1
InChIInChI=1S/C10H17N3O/c11-6-7-12-10(14)8-13-9-4-2-1-3-5-9/h9,13H,1-5,7-8H2,(H,12,14)
InChIKeyXLBBDDWEFPDOCA-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.55
Rot. Bonds4

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

N-(cyanomethyl)-2-(cyclohexylamino)acetamide (PubChem CID 28565070) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(cyclohexylamino)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(cyclohexylamino)acetamide
PubChem CID28565070
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-(cyanomethyl)-2-(cyclohexylamino)acetamide
SMILESN#CCNC(=O)CNC1CCCCC1
InChIInChI=1S/C10H17N3O/c11-6-7-12-10(14)8-13-9-4-2-1-3-5-9/h9,13H,1-5,7-8H2,(H,12,14)
InChIKeyXLBBDDWEFPDOCA-UHFFFAOYSA-N
XLogP0.55
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.55
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-(cyclododecylamino)-N-ethylacetamide
CID 43399943
2-(cyclooctylamino)-N-ethylacetamide
CID 28575760
N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393576
N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide
CID 62407707
2-(cyclooctylamino)-N-methylacetamide
CID 28575796
2-(cyclohexylamino)-N-(cyclopropylmethyl)acetamide
CID 28565073
2-[[2-(cyclopentylamino)acetyl]amino]acetic acid
CID 61158187
N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43199293
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
N-(cyanomethyl)-2-cyclopentylacetamide
CID 60896119
2-(cyclopentylamino)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66186275
N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
CID 28566856

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(cyclohexylamino)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(cyclohexylamino)acetamide (CID 28565070) is N-(cyanomethyl)-2-(cyclohexylamino)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(cyclohexylamino)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(cyclohexylamino)acetamide is N#CCNC(=O)CNC1CCCCC1.
What is the InChIKey of N-(cyanomethyl)-2-(cyclohexylamino)acetamide?
The InChIKey is XLBBDDWEFPDOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-6-7-12-10(14)8-13-9-4-2-1-3-5-9/h9,13H,1-5,7-8H2,(H,12,14).
What are the key properties of N-(cyanomethyl)-2-(cyclohexylamino)acetamide?
N-(cyanomethyl)-2-(cyclohexylamino)acetamide has a molecular weight of 195.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(cyclohexylamino)acetamide is sourced from PubChem (CID 28565070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).