(Z)-N-ethyl-N',2-dimethyl-3-(methylideneamino)prop-2-enimidamide

C8H15N3 — CID 155721817

IUPAC(Z)-N-ethyl-N',2-dimethyl-3-(methylideneamino)prop-2-enimidamide
SMILESC=N/C=C(C)\C(=N\C)NCC
InChIInChI=1S/C8H15N3/c1-5-11-8(10-4)7(2)6-9-3/h6H,3,5H2,1-2,4H3,(H,10,11)/b7-6-
InChIKeyTUBVHDZEWUHNJH-SREVYHEPSA-N
MW153.23 g/mol
LogP1.23
Rot. Bonds3

About (Z)-N-ethyl-N',2-dimethyl-3-(methylideneamino)prop-2-enimidamide

(Z)-N-ethyl-N',2-dimethyl-3-(methylideneamino)prop-2-enimidamide (PubChem CID 155721817) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (Z)-N-ethyl-N',2-dimethyl-3-(methylideneamino)prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-ethyl-N',2-dimethyl-3-(methylideneamino)prop-2-enimidamide
PubChem CID155721817
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(Z)-N-ethyl-N',2-dimethyl-3-(methylideneamino)prop-2-enimidamide
SMILESC=N/C=C(C)\C(=N\C)NCC
InChIInChI=1S/C8H15N3/c1-5-11-8(10-4)7(2)6-9-3/h6H,3,5H2,1-2,4H3,(H,10,11)/b7-6-
InChIKeyTUBVHDZEWUHNJH-SREVYHEPSA-N
XLogP1.23
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.23
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-N',2-dimethyl-3-(methylideneamino)prop-2-enimidamide?
The IUPAC name of (Z)-N-ethyl-N',2-dimethyl-3-(methylideneamino)prop-2-enimidamide (CID 155721817) is (Z)-N-ethyl-N',2-dimethyl-3-(methylideneamino)prop-2-enimidamide.
What is the SMILES notation for (Z)-N-ethyl-N',2-dimethyl-3-(methylideneamino)prop-2-enimidamide?
The canonical SMILES for (Z)-N-ethyl-N',2-dimethyl-3-(methylideneamino)prop-2-enimidamide is C=N/C=C(C)\C(=N\C)NCC.
What is the InChIKey of (Z)-N-ethyl-N',2-dimethyl-3-(methylideneamino)prop-2-enimidamide?
The InChIKey is TUBVHDZEWUHNJH-SREVYHEPSA-N. The full InChI is InChI=1S/C8H15N3/c1-5-11-8(10-4)7(2)6-9-3/h6H,3,5H2,1-2,4H3,(H,10,11)/b7-6-.
What are the key properties of (Z)-N-ethyl-N',2-dimethyl-3-(methylideneamino)prop-2-enimidamide?
(Z)-N-ethyl-N',2-dimethyl-3-(methylideneamino)prop-2-enimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-N',2-dimethyl-3-(methylideneamino)prop-2-enimidamide is sourced from PubChem (CID 155721817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).