N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide

C6H14N4O — CID 62359742

IUPACN-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide
SMILESC/N=C(\N)NCCC(=O)NC
InChIInChI=1S/C6H14N4O/c1-8-5(11)3-4-10-6(7)9-2/h3-4H2,1-2H3,(H,8,11)(H3,7,9,10)
InChIKeyNCAMEXHPCMLCRY-UHFFFAOYSA-N
MW158.21 g/mol
LogP-1.34
Rot. Bonds3

About N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide

N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide (PubChem CID 62359742) has the molecular formula C6H14N4O and a molecular weight of 158.21 g/mol. Its IUPAC name is N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide
PubChem CID62359742
Molecular FormulaC6H14N4O
Molecular Weight158.21 g/mol
Exact Mass158.12
IUPAC NameN-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide
SMILESC/N=C(\N)NCCC(=O)NC
InChIInChI=1S/C6H14N4O/c1-8-5(11)3-4-10-6(7)9-2/h3-4H2,1-2H3,(H,8,11)(H3,7,9,10)
InChIKeyNCAMEXHPCMLCRY-UHFFFAOYSA-N
XLogP-1.34
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 5-1.34
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'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide
CID 115600936
3-(carbamoylamino)-N-methylpropanamide
CID 60667661
2-methyl-1-(3-oxopentyl)guanidine
CID 142981589
2-methyl-1-(4-methyl-3-oxopentyl)guanidine
CID 58774105
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate
CID 83203999
N-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide
CID 123137828
ethyl N-[3-(methylamino)-3-oxopropyl]carbamate
CID 60762452
4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782655
2-methyl-1-(2-sulfamoylethyl)guanidine
CID 62358628
N-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide
CID 75416660
2,3-bis(methylamino)-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 58422041

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide?
The IUPAC name of N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide (CID 62359742) is N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide.
What is the SMILES notation for N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide?
The canonical SMILES for N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide is C/N=C(\N)NCCC(=O)NC.
What is the InChIKey of N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide?
The InChIKey is NCAMEXHPCMLCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-8-5(11)3-4-10-6(7)9-2/h3-4H2,1-2H3,(H,8,11)(H3,7,9,10).
What are the key properties of N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide?
N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide has a molecular weight of 158.21 g/mol, XLogP of -1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide is sourced from PubChem (CID 62359742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).