N-[ethenyl(methyl)amino]-N'-ethylmethanimidamide

C6H13N3 — CID 166705924

IUPACN-[ethenyl(methyl)amino]-N'-ethylmethanimidamide
SMILESC=CN(C)N/C=N/CC
InChIInChI=1S/C6H13N3/c1-4-7-6-8-9(3)5-2/h5-6H,2,4H2,1,3H3,(H,7,8)
InChIKeyAAZCJWRYVSWQGK-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.61
Rot. Bonds4

About N-[ethenyl(methyl)amino]-N'-ethylmethanimidamide

N-[ethenyl(methyl)amino]-N'-ethylmethanimidamide (PubChem CID 166705924) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-[ethenyl(methyl)amino]-N'-ethylmethanimidamide.

Molecular Properties

Compound NameN-[ethenyl(methyl)amino]-N'-ethylmethanimidamide
PubChem CID166705924
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-[ethenyl(methyl)amino]-N'-ethylmethanimidamide
SMILESC=CN(C)N/C=N/CC
InChIInChI=1S/C6H13N3/c1-4-7-6-8-9(3)5-2/h5-6H,2,4H2,1,3H3,(H,7,8)
InChIKeyAAZCJWRYVSWQGK-UHFFFAOYSA-N
XLogP0.61
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N-[ethenyl(methyl)amino]-N'-ethylmethanimidamide?
The IUPAC name of N-[ethenyl(methyl)amino]-N'-ethylmethanimidamide (CID 166705924) is N-[ethenyl(methyl)amino]-N'-ethylmethanimidamide.
What is the SMILES notation for N-[ethenyl(methyl)amino]-N'-ethylmethanimidamide?
The canonical SMILES for N-[ethenyl(methyl)amino]-N'-ethylmethanimidamide is C=CN(C)N/C=N/CC.
What is the InChIKey of N-[ethenyl(methyl)amino]-N'-ethylmethanimidamide?
The InChIKey is AAZCJWRYVSWQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-4-7-6-8-9(3)5-2/h5-6H,2,4H2,1,3H3,(H,7,8).
What are the key properties of N-[ethenyl(methyl)amino]-N'-ethylmethanimidamide?
N-[ethenyl(methyl)amino]-N'-ethylmethanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethenyl(methyl)amino]-N'-ethylmethanimidamide is sourced from PubChem (CID 166705924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).