3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide

C9H20N4O — CID 110917952

IUPAC3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCN/C(=N/C)NC
InChIInChI=1S/C9H20N4O/c1-4-6-12-8(14)5-7-13-9(10-2)11-3/h4-7H2,1-3H3,(H,12,14)(H2,10,11,13)
InChIKeyWFZYCBKEYUIVEZ-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.30
Rot. Bonds5

About 3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide

3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide (PubChem CID 110917952) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide
PubChem CID110917952
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCN/C(=N/C)NC
InChIInChI=1S/C9H20N4O/c1-4-6-12-8(14)5-7-13-9(10-2)11-3/h4-7H2,1-3H3,(H,12,14)(H2,10,11,13)
InChIKeyWFZYCBKEYUIVEZ-UHFFFAOYSA-N
XLogP-0.30
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.30
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'}

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Related Compounds

3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]-N-propylpropanamide
CID 110983294
3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111345278
3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]-N-propylpropanamide
CID 109472025
3-[[N-(2-methoxy-2-methylpropyl)-N'-methylcarbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111605384
3-[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111636633
3-[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111416418
N-butan-2-yl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111228643
5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide
CID 170258094
N-benzyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111225373
3-[[N-[3-(cyclopropylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111392238
3-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 110934465
3-[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111360170

Frequently Asked Questions

What is the IUPAC name of 3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide (CID 110917952) is 3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide is CCCNC(=O)CCN/C(=N/C)NC.
What is the InChIKey of 3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide?
The InChIKey is WFZYCBKEYUIVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-4-6-12-8(14)5-7-13-9(10-2)11-3/h4-7H2,1-3H3,(H,12,14)(H2,10,11,13).
What are the key properties of 3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide?
3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide has a molecular weight of 200.29 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide is sourced from PubChem (CID 110917952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).