N'-[1-(methylamino)ethyl]methanimidamide

C4H11N3 — CID 123918140

IUPACN'-[1-(methylamino)ethyl]methanimidamide
SMILESCNC(C)N=CN
InChIInChI=1S/C4H11N3/c1-4(6-2)7-3-5/h3-4,6H,1-2H3,(H2,5,7)
InChIKeyPJRGXMNLPGYDFK-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.46
Rot. Bonds2

About N'-[1-(methylamino)ethyl]methanimidamide

N'-[1-(methylamino)ethyl]methanimidamide (PubChem CID 123918140) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is N'-[1-(methylamino)ethyl]methanimidamide.

Molecular Properties

Compound NameN'-[1-(methylamino)ethyl]methanimidamide
PubChem CID123918140
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC NameN'-[1-(methylamino)ethyl]methanimidamide
SMILESCNC(C)N=CN
InChIInChI=1S/C4H11N3/c1-4(6-2)7-3-5/h3-4,6H,1-2H3,(H2,5,7)
InChIKeyPJRGXMNLPGYDFK-UHFFFAOYSA-N
XLogP-0.46
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
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

N'-[1-(ethylamino)ethyl]methanimidamide
CID 123520984
N'-butan-2-ylmethanimidamide
CID 13225428
N'-[1-(methylamino)ethyl]ethanimidamide
CID 123609698
N'-(2-methylpropylsulfanyl)methanimidamide
CID 143071544
(2S)-N',3-dimethyl-2-(methylamino)butanimidamide
CID 134570586
2-propan-2-yliminoethanamine
CID 163684613
(2R)-4-methyl-2-(methylamino)pentanamide
CID 89050865
N'-[(Z)-4-methylpent-2-en-3-yl]oxymethanimidamide
CID 134344133
N-methyl-1-[4-(2-methylpropyl)cyclohexyl]methanamine
CID 155019686
ethene;(3E)-3-ethyl-2-N-methylhexa-3,5-diene-1,2-diamine
CID 143109979
1-N,1-N'-dimethylethene-1,1,2-triamine
CID 19864728
2-N-methylpropane-1,2,3-triamine
CID 22619064

Frequently Asked Questions

What is the IUPAC name of N'-[1-(methylamino)ethyl]methanimidamide?
The IUPAC name of N'-[1-(methylamino)ethyl]methanimidamide (CID 123918140) is N'-[1-(methylamino)ethyl]methanimidamide.
What is the SMILES notation for N'-[1-(methylamino)ethyl]methanimidamide?
The canonical SMILES for N'-[1-(methylamino)ethyl]methanimidamide is CNC(C)N=CN.
What is the InChIKey of N'-[1-(methylamino)ethyl]methanimidamide?
The InChIKey is PJRGXMNLPGYDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3/c1-4(6-2)7-3-5/h3-4,6H,1-2H3,(H2,5,7).
What are the key properties of N'-[1-(methylamino)ethyl]methanimidamide?
N'-[1-(methylamino)ethyl]methanimidamide has a molecular weight of 101.15 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(methylamino)ethyl]methanimidamide is sourced from PubChem (CID 123918140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).