5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide

C9H20N4O — CID 170258094

IUPAC5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide
SMILESC/N=C(\NC)NCCCCC(=O)NC
InChIInChI=1S/C9H20N4O/c1-10-8(14)6-4-5-7-13-9(11-2)12-3/h4-7H2,1-3H3,(H,10,14)(H2,11,12,13)
InChIKeyPRCQVRNPMKJOMB-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.30
Rot. Bonds5

About 5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide

5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide (PubChem CID 170258094) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide.

Molecular Properties

Compound Name5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide
PubChem CID170258094
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide
SMILESC/N=C(\NC)NCCCCC(=O)NC
InChIInChI=1S/C9H20N4O/c1-10-8(14)6-4-5-7-13-9(11-2)12-3/h4-7H2,1-3H3,(H,10,14)(H2,11,12,13)
InChIKeyPRCQVRNPMKJOMB-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethane;N-methyl-6-(propanoylamino)hexanamide
CID 145098119
3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide
CID 110917952
N,N'-dimethylheptanediamide
CID 15166696
6-(ethanethioylamino)-N-methylhexanamide
CID 143768441
N-methyl-11-(methylamino)undecanamide
CID 59809097
(Z)-N-[(2S)-4-[(N,N'-dimethylcarbamimidoyl)amino]-1-(hexadecylamino)-1-oxobutan-2-yl]octadec-9-enamide
CID 178056659
5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 79209725
1,2-dimethyl-3-(3-methylsulfanylpropyl)guanidine
CID 102135691
1-[4-(diethylamino)butyl]-2,3-dimethylguanidine
CID 110917279
1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide
CID 110918889
6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine
CID 169247906
1-(2-hydroxyethyl)-2,3-dimethylguanidine
CID 22977239

Frequently Asked Questions

What is the IUPAC name of 5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide?
The IUPAC name of 5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide (CID 170258094) is 5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide.
What is the SMILES notation for 5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide?
The canonical SMILES for 5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide is C/N=C(\NC)NCCCCC(=O)NC.
What is the InChIKey of 5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide?
The InChIKey is PRCQVRNPMKJOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-10-8(14)6-4-5-7-13-9(11-2)12-3/h4-7H2,1-3H3,(H,10,14)(H2,11,12,13).
What are the key properties of 5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide?
5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide 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 5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide is sourced from PubChem (CID 170258094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).