3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide

C8H18N4O — CID 115600936

IUPAC3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide
SMILESC/N=C(\N)NCCC(=O)NC(C)C
InChIInChI=1S/C8H18N4O/c1-6(2)12-7(13)4-5-11-8(9)10-3/h6H,4-5H2,1-3H3,(H,12,13)(H3,9,10,11)
InChIKeyJEOLDWDCROEMSZ-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.56
Rot. Bonds4

About 3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide

3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide (PubChem CID 115600936) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide
PubChem CID115600936
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide
SMILESC/N=C(\N)NCCC(=O)NC(C)C
InChIInChI=1S/C8H18N4O/c1-6(2)12-7(13)4-5-11-8(9)10-3/h6H,4-5H2,1-3H3,(H,12,13)(H3,9,10,11)
InChIKeyJEOLDWDCROEMSZ-UHFFFAOYSA-N
XLogP-0.56
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide
CID 62359742
2-methyl-1-(4-methyl-3-oxopentyl)guanidine
CID 58774105
3-[[N'-(3-methylbutyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111043459
3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111043542
(2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide
CID 103794522
2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide
CID 115733718
3-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 110942502
2-methyl-1-(3-oxopentyl)guanidine
CID 142981589
N-propan-2-yl-3-(sulfamoylamino)propanamide
CID 115609040
3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111691859
3-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111891029
3-[[N'-methyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111961161

Frequently Asked Questions

What is the IUPAC name of 3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide (CID 115600936) is 3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide is C/N=C(\N)NCCC(=O)NC(C)C.
What is the InChIKey of 3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is JEOLDWDCROEMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-6(2)12-7(13)4-5-11-8(9)10-3/h6H,4-5H2,1-3H3,(H,12,13)(H3,9,10,11).
What are the key properties of 3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide?
3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 186.26 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 115600936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).