2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide

C13H23N5O — CID 119158907

IUPAC2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
SMILESC/N=C(\NCC(=O)NC(C)C)NC1CCCC1C#N
InChIInChI=1S/C13H23N5O/c1-9(2)17-12(19)8-16-13(15-3)18-11-6-4-5-10(11)7-14/h9-11H,4-6,8H2,1-3H3,(H,17,19)(H2,15,16,18)
InChIKeyZFRHDEOBHRWPSY-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.37
Rot. Bonds4

About 2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide

2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide (PubChem CID 119158907) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
PubChem CID119158907
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
SMILESC/N=C(\NCC(=O)NC(C)C)NC1CCCC1C#N
InChIInChI=1S/C13H23N5O/c1-9(2)17-12(19)8-16-13(15-3)18-11-6-4-5-10(11)7-14/h9-11H,4-6,8H2,1-3H3,(H,17,19)(H2,15,16,18)
InChIKeyZFRHDEOBHRWPSY-UHFFFAOYSA-N
XLogP0.37
TPSA89.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2-cyanocyclohexyl)amino]-N-propan-2-ylacetamide
CID 62742043
1-(2-cyanocyclopentyl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide
CID 119155538
2-[[N-(4-ethylcyclohexyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158353
5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid
CID 62961989
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(2-cyanocyclopentyl)-2-methylguanidine
CID 119160515
2-[[N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158319
2-[[N'-methyl-N-(6-oxopiperidin-3-yl)carbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119158441
N-(2-cyanocyclopentyl)-4-(methylamino)butanamide
CID 62961468
3-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide
CID 110992517
3-[[N'-methyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111961161
2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119150643
3-amino-N-(2-cyanocyclopentyl)-3-methylbutanamide
CID 64679356

Frequently Asked Questions

What is the IUPAC name of 2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide (CID 119158907) is 2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide is C/N=C(\NCC(=O)NC(C)C)NC1CCCC1C#N.
What is the InChIKey of 2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide?
The InChIKey is ZFRHDEOBHRWPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9(2)17-12(19)8-16-13(15-3)18-11-6-4-5-10(11)7-14/h9-11H,4-6,8H2,1-3H3,(H,17,19)(H2,15,16,18).
What are the key properties of 2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide?
2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide has a molecular weight of 265.36 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N-(2-cyanocyclopentyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 119158907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).