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

C5H13N3 — CID 123609698

IUPACN'-[1-(methylamino)ethyl]ethanimidamide
SMILESCNC(C)N=C(C)N
InChIInChI=1S/C5H13N3/c1-4(6)8-5(2)7-3/h5,7H,1-3H3,(H2,6,8)
InChIKeyIFYLQTBQIAPYLZ-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.07
Rot. Bonds2

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

N'-[1-(methylamino)ethyl]ethanimidamide (PubChem CID 123609698) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is N'-[1-(methylamino)ethyl]ethanimidamide.

Molecular Properties

Compound NameN'-[1-(methylamino)ethyl]ethanimidamide
PubChem CID123609698
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC NameN'-[1-(methylamino)ethyl]ethanimidamide
SMILESCNC(C)N=C(C)N
InChIInChI=1S/C5H13N3/c1-4(6)8-5(2)7-3/h5,7H,1-3H3,(H2,6,8)
InChIKeyIFYLQTBQIAPYLZ-UHFFFAOYSA-N
XLogP-0.07
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.07
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-(methylamino)ethyl]methanimidamide
CID 123918140
1-(methylamino)ethanol;hydroiodide
CID 173051300
N-[1-(diaminomethylideneamino)ethyl]acetamide
CID 88609974
N'-(4,4-difluorobutan-2-yl)ethanimidamide
CID 131134560
N'-(1-methoxypropan-2-yl)ethanimidamide
CID 62049796
2-(1-aminoethylideneamino)-N,N-dimethylpropanamide
CID 63173364
N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
CID 25231669
2-[(4R)-4-(methylamino)pentyl]guanidine
CID 59032682
N'-methyl-3-(methylamino)-2-(methylaminomethylidene)butanimidamide
CID 163660233
(E)-2,3-dimethyl-4-(methylamino)pent-2-enamide
CID 90151676
(2S)-N',3-dimethyl-2-(methylamino)butanimidamide
CID 134570586
3-(diaminomethylideneamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide
CID 54445418

Frequently Asked Questions

What is the IUPAC name of N'-[1-(methylamino)ethyl]ethanimidamide?
The IUPAC name of N'-[1-(methylamino)ethyl]ethanimidamide (CID 123609698) is N'-[1-(methylamino)ethyl]ethanimidamide.
What is the SMILES notation for N'-[1-(methylamino)ethyl]ethanimidamide?
The canonical SMILES for N'-[1-(methylamino)ethyl]ethanimidamide is CNC(C)N=C(C)N.
What is the InChIKey of N'-[1-(methylamino)ethyl]ethanimidamide?
The InChIKey is IFYLQTBQIAPYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-4(6)8-5(2)7-3/h5,7H,1-3H3,(H2,6,8).
What are the key properties of N'-[1-(methylamino)ethyl]ethanimidamide?
N'-[1-(methylamino)ethyl]ethanimidamide has a molecular weight of 115.18 g/mol, XLogP of -0.07, 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]ethanimidamide is sourced from PubChem (CID 123609698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).