N-(1-methoxyethylamino)-N'-methylethanimidamide

C6H15N3O — CID 146533561

IUPACN-(1-methoxyethylamino)-N'-methylethanimidamide
SMILESC/N=C(\C)NNC(C)OC
InChIInChI=1S/C6H15N3O/c1-5(7-3)8-9-6(2)10-4/h6,9H,1-4H3,(H,7,8)
InChIKeyKWNYAMIAMYMGID-UHFFFAOYSA-N
MW145.21 g/mol
LogP0.12
Rot. Bonds3

About N-(1-methoxyethylamino)-N'-methylethanimidamide

N-(1-methoxyethylamino)-N'-methylethanimidamide (PubChem CID 146533561) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is N-(1-methoxyethylamino)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-(1-methoxyethylamino)-N'-methylethanimidamide
PubChem CID146533561
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC NameN-(1-methoxyethylamino)-N'-methylethanimidamide
SMILESC/N=C(\C)NNC(C)OC
InChIInChI=1S/C6H15N3O/c1-5(7-3)8-9-6(2)10-4/h6,9H,1-4H3,(H,7,8)
InChIKeyKWNYAMIAMYMGID-UHFFFAOYSA-N
XLogP0.12
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methoxy-N'-methylpropanimidamide
CID 124512055
acetic acid;1-methoxy-N-(1-methoxyethyl)ethanamine
CID 173051578
N-chloro-1-methoxyethanamine
CID 129238948
N,N'-dimethylethanimidamide;ethane
CID 176553571
4-methoxy-2-methyl-3-methyliminopentan-2-ol
CID 123702945
N'-hydroxy-2-methoxypropanimidamide
CID 72581636
2-methoxypropanoic acid;zirconium
CID 174567743
N-amino-N'-methylethanimidamide;molecular hydrogen
CID 142049253
N,4,6-trimethyl-2-methyliminohept-5-en-3-amine
CID 123794549
[(2S)-3-oxobutan-2-yl] (2R)-2-methoxypropanoate;[(2R)-3-oxobutan-2-yl] (2S)-2-methoxypropanoate
CID 159152488
2-chloro-3-methoxybutane
CID 23424437
acetic acid;N'-(1-methoxyethyl)ethane-1,2-diamine
CID 174560246

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyethylamino)-N'-methylethanimidamide?
The IUPAC name of N-(1-methoxyethylamino)-N'-methylethanimidamide (CID 146533561) is N-(1-methoxyethylamino)-N'-methylethanimidamide.
What is the SMILES notation for N-(1-methoxyethylamino)-N'-methylethanimidamide?
The canonical SMILES for N-(1-methoxyethylamino)-N'-methylethanimidamide is C/N=C(\C)NNC(C)OC.
What is the InChIKey of N-(1-methoxyethylamino)-N'-methylethanimidamide?
The InChIKey is KWNYAMIAMYMGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-5(7-3)8-9-6(2)10-4/h6,9H,1-4H3,(H,7,8).
What are the key properties of N-(1-methoxyethylamino)-N'-methylethanimidamide?
N-(1-methoxyethylamino)-N'-methylethanimidamide has a molecular weight of 145.21 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyethylamino)-N'-methylethanimidamide is sourced from PubChem (CID 146533561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).