N'-methyl-N-[2-(methylamino)ethyl]methanimidamide

C5H13N3 — CID 142151243

IUPACN'-methyl-N-[2-(methylamino)ethyl]methanimidamide
SMILESC/N=C/NCCNC
InChIInChI=1S/C5H13N3/c1-6-3-4-8-5-7-2/h5-6H,3-4H2,1-2H3,(H,7,8)
InChIKeyUWMIWRPAWJOTNO-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.55
Rot. Bonds4

About N'-methyl-N-[2-(methylamino)ethyl]methanimidamide

N'-methyl-N-[2-(methylamino)ethyl]methanimidamide (PubChem CID 142151243) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is N'-methyl-N-[2-(methylamino)ethyl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-(methylamino)ethyl]methanimidamide
PubChem CID142151243
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC NameN'-methyl-N-[2-(methylamino)ethyl]methanimidamide
SMILESC/N=C/NCCNC
InChIInChI=1S/C5H13N3/c1-6-3-4-8-5-7-2/h5-6H,3-4H2,1-2H3,(H,7,8)
InChIKeyUWMIWRPAWJOTNO-UHFFFAOYSA-N
XLogP-0.55
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
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

N-(aminomethyl)-N'-methylmethanimidamide
CID 123185735
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide
CID 89221528
N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine
CID 121451302
N,N'-dimethylethane-1,2-diamine;ethane
CID 90689080
N-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide
CID 123494037
N'-methyl-N-(methylamino)methanimidamide
CID 91075013
potassium;N,N'-dimethylmethanimidamide;hydride
CID 173129967
2-(methyliminomethylamino)acetamide
CID 143453568
N-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide
CID 142202873
N-methylmethanamine;N-methyl-N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 143227011
N-methyl-3-(methyliminomethyl)pentan-1-amine
CID 143556278
ethane;N-[2-(methylamino)ethyl]thiohydroxylamine
CID 153374954

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(methylamino)ethyl]methanimidamide?
The IUPAC name of N'-methyl-N-[2-(methylamino)ethyl]methanimidamide (CID 142151243) is N'-methyl-N-[2-(methylamino)ethyl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[2-(methylamino)ethyl]methanimidamide?
The canonical SMILES for N'-methyl-N-[2-(methylamino)ethyl]methanimidamide is C/N=C/NCCNC.
What is the InChIKey of N'-methyl-N-[2-(methylamino)ethyl]methanimidamide?
The InChIKey is UWMIWRPAWJOTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-6-3-4-8-5-7-2/h5-6H,3-4H2,1-2H3,(H,7,8).
What are the key properties of N'-methyl-N-[2-(methylamino)ethyl]methanimidamide?
N'-methyl-N-[2-(methylamino)ethyl]methanimidamide has a molecular weight of 115.18 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(methylamino)ethyl]methanimidamide is sourced from PubChem (CID 142151243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).