3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide

C8H17N5O — CID 104882342

IUPAC3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide
SMILESC/N=C(\NN)NCCC(=O)NC1CC1
InChIInChI=1S/C8H17N5O/c1-10-8(13-9)11-5-4-7(14)12-6-2-3-6/h6H,2-5,9H2,1H3,(H,12,14)(H2,10,11,13)
InChIKeyASDWGGYIHBMYQF-UHFFFAOYSA-N
MW199.26 g/mol
LogP-1.31
Rot. Bonds4

About 3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide

3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide (PubChem CID 104882342) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide
PubChem CID104882342
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC Name3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide
SMILESC/N=C(\NN)NCCC(=O)NC1CC1
InChIInChI=1S/C8H17N5O/c1-10-8(13-9)11-5-4-7(14)12-6-2-3-6/h6H,2-5,9H2,1H3,(H,12,14)(H2,10,11,13)
InChIKeyASDWGGYIHBMYQF-UHFFFAOYSA-N
XLogP-1.31
TPSA91.54 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111226709
N-cyclopropyl-4-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]butanamide
CID 111002059
N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide
CID 111124554
N-cyclopropyl-4-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]butanamide
CID 111125811
N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide
CID 111161669
N-cyclopropyl-2-[[hydrazinyl(propylamino)methylidene]amino]acetamide
CID 104883956
N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide
CID 110983081
3-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide
CID 110992517
N-cyclopropyl-4-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]butanamide
CID 111222561
1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide
CID 67070956
N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111692610
N-cyclopropyl-4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]butanamide
CID 111891245

Frequently Asked Questions

What is the IUPAC name of 3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide (CID 104882342) is 3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide is C/N=C(\NN)NCCC(=O)NC1CC1.
What is the InChIKey of 3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide?
The InChIKey is ASDWGGYIHBMYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-10-8(13-9)11-5-4-7(14)12-6-2-3-6/h6H,2-5,9H2,1H3,(H,12,14)(H2,10,11,13).
What are the key properties of 3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide?
3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide has a molecular weight of 199.26 g/mol, XLogP of -1.31, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 104882342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).