3-chloro-2-(ethylamino)-3-(methylamino)-N-methylideneprop-2-enimidamide

C7H13ClN4 — CID 173476198

IUPAC3-chloro-2-(ethylamino)-3-(methylamino)-N-methylideneprop-2-enimidamide
SMILES[H]/N=C(\N=C)C(NCC)=C(Cl)NC
InChIInChI=1S/C7H13ClN4/c1-4-12-5(6(8)10-2)7(9)11-3/h9-10,12H,3-4H2,1-2H3/b6-5?,9-7-
InChIKeyFJJLIFOSMOJBJL-YCGXEMNDSA-N
MW188.66 g/mol
LogP0.90
Rot. Bonds4

About 3-chloro-2-(ethylamino)-3-(methylamino)-N-methylideneprop-2-enimidamide

3-chloro-2-(ethylamino)-3-(methylamino)-N-methylideneprop-2-enimidamide (PubChem CID 173476198) has the molecular formula C7H13ClN4 and a molecular weight of 188.66 g/mol. Its IUPAC name is 3-chloro-2-(ethylamino)-3-(methylamino)-N-methylideneprop-2-enimidamide.

Molecular Properties

Compound Name3-chloro-2-(ethylamino)-3-(methylamino)-N-methylideneprop-2-enimidamide
PubChem CID173476198
Molecular FormulaC7H13ClN4
Molecular Weight188.66 g/mol
Exact Mass188.08
IUPAC Name3-chloro-2-(ethylamino)-3-(methylamino)-N-methylideneprop-2-enimidamide
SMILES[H]/N=C(\N=C)C(NCC)=C(Cl)NC
InChIInChI=1S/C7H13ClN4/c1-4-12-5(6(8)10-2)7(9)11-3/h9-10,12H,3-4H2,1-2H3/b6-5?,9-7-
InChIKeyFJJLIFOSMOJBJL-YCGXEMNDSA-N
XLogP0.90
TPSA60.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride
CID 146392881
(E)-3-chloro-3-(ethylamino)prop-2-enimidoyl chloride
CID 167092173
1-ethyl-3-methylideneurea
CID 22063397
(E)-3-(2-hydroxyethylamino)-N-methylidenebut-2-enimidamide
CID 142337016
3-amino-2-iodo-N-methylideneprop-2-enimidamide
CID 153028028
1-ethyl-1-methyl-3-methylideneguanidine
CID 59950676
N-ethyl-2-fluoroprop-2-enamide
CID 138502811
N-ethyl-3-(methylideneamino)prop-1-en-2-amine
CID 155313721
1-N'-ethyl-1-N-methylpropa-1,2-diene-1,1-diamine
CID 176527609
(2E,3Z,5E)-7-bromo-2-ethylidene-N-methylidenehepta-3,5-dienimidamide
CID 137487756
2-(2-chloroprop-2-enyl)-1-ethylguanidine
CID 115672456
1-chloro-N,2-dimethylprop-1-en-1-amine
CID 86211686

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(ethylamino)-3-(methylamino)-N-methylideneprop-2-enimidamide?
The IUPAC name of 3-chloro-2-(ethylamino)-3-(methylamino)-N-methylideneprop-2-enimidamide (CID 173476198) is 3-chloro-2-(ethylamino)-3-(methylamino)-N-methylideneprop-2-enimidamide.
What is the SMILES notation for 3-chloro-2-(ethylamino)-3-(methylamino)-N-methylideneprop-2-enimidamide?
The canonical SMILES for 3-chloro-2-(ethylamino)-3-(methylamino)-N-methylideneprop-2-enimidamide is [H]/N=C(\N=C)C(NCC)=C(Cl)NC.
What is the InChIKey of 3-chloro-2-(ethylamino)-3-(methylamino)-N-methylideneprop-2-enimidamide?
The InChIKey is FJJLIFOSMOJBJL-YCGXEMNDSA-N. The full InChI is InChI=1S/C7H13ClN4/c1-4-12-5(6(8)10-2)7(9)11-3/h9-10,12H,3-4H2,1-2H3/b6-5?,9-7-.
What are the key properties of 3-chloro-2-(ethylamino)-3-(methylamino)-N-methylideneprop-2-enimidamide?
3-chloro-2-(ethylamino)-3-(methylamino)-N-methylideneprop-2-enimidamide has a molecular weight of 188.66 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(ethylamino)-3-(methylamino)-N-methylideneprop-2-enimidamide is sourced from PubChem (CID 173476198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).