2-[1,2-bis(methylamino)ethyl]-1-ethenyl-3-prop-2-enylideneguanidine

C10H19N5 — CID 123660723

IUPAC2-[1,2-bis(methylamino)ethyl]-1-ethenyl-3-prop-2-enylideneguanidine
SMILESC=CC=NC(=NC(CNC)NC)NC=C
InChIInChI=1S/C10H19N5/c1-5-7-14-10(13-6-2)15-9(12-4)8-11-3/h5-7,9,11-12H,1-2,8H2,3-4H3,(H,13,15)
InChIKeyCZDLRNYFXNUHJJ-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.10
Rot. Bonds6

About 2-[1,2-bis(methylamino)ethyl]-1-ethenyl-3-prop-2-enylideneguanidine

2-[1,2-bis(methylamino)ethyl]-1-ethenyl-3-prop-2-enylideneguanidine (PubChem CID 123660723) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 2-[1,2-bis(methylamino)ethyl]-1-ethenyl-3-prop-2-enylideneguanidine.

Molecular Properties

Compound Name2-[1,2-bis(methylamino)ethyl]-1-ethenyl-3-prop-2-enylideneguanidine
PubChem CID123660723
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name2-[1,2-bis(methylamino)ethyl]-1-ethenyl-3-prop-2-enylideneguanidine
SMILESC=CC=NC(=NC(CNC)NC)NC=C
InChIInChI=1S/C10H19N5/c1-5-7-14-10(13-6-2)15-9(12-4)8-11-3/h5-7,9,11-12H,1-2,8H2,3-4H3,(H,13,15)
InChIKeyCZDLRNYFXNUHJJ-UHFFFAOYSA-N
XLogP0.10
TPSA60.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.10
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'}

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Related Compounds

(15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
CID 59529661
1,4,7,10,13-Pentazacyclohexadeca-13,15-diene
CID 72317546
1,2-Bis(prop-1-enyl)-3-propylideneguanidine
CID 123603688
(Z)-N'-(1-piperazin-1-ylethylidene)prop-2-ene-1,3-diimine
CID 135135368
N-[(E)-3-(dimethylamino)prop-2-enylidene]-2-(methylamino)ethanimidamide
CID 142050091
N,N'-dimethyl-N'-[1-[(Z)-prop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143834919
Ethane;2-methyl-1,2-dihydropyrimidine
CID 144843398
1,2-Dihydropyrimidine;1,2,3,4-tetrahydropyrazine
CID 146216555
N'-methyl-N-[1-(methylamino)-2-[(E)-prop-1-enyl]iminoethyl]methanimidamide
CID 166785655
(E)-N,N'-bis[2-(prop-2-enylideneamino)ethyl]ethene-1,2-diamine;ethane
CID 172283770
1-(2-Aminoethyl)-2-methyl-3-prop-2-enylideneguanidine
CID 173682509
(2S)-2-amino-N-[1-(3-iminoprop-1-enylamino)ethenyl]-N'-prop-2-enylpropanimidamide
CID 176539304

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-bis(methylamino)ethyl]-1-ethenyl-3-prop-2-enylideneguanidine?
The IUPAC name of 2-[1,2-bis(methylamino)ethyl]-1-ethenyl-3-prop-2-enylideneguanidine (CID 123660723) is 2-[1,2-bis(methylamino)ethyl]-1-ethenyl-3-prop-2-enylideneguanidine.
What is the SMILES notation for 2-[1,2-bis(methylamino)ethyl]-1-ethenyl-3-prop-2-enylideneguanidine?
The canonical SMILES for 2-[1,2-bis(methylamino)ethyl]-1-ethenyl-3-prop-2-enylideneguanidine is C=CC=NC(=NC(CNC)NC)NC=C.
What is the InChIKey of 2-[1,2-bis(methylamino)ethyl]-1-ethenyl-3-prop-2-enylideneguanidine?
The InChIKey is CZDLRNYFXNUHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-5-7-14-10(13-6-2)15-9(12-4)8-11-3/h5-7,9,11-12H,1-2,8H2,3-4H3,(H,13,15).
What are the key properties of 2-[1,2-bis(methylamino)ethyl]-1-ethenyl-3-prop-2-enylideneguanidine?
2-[1,2-bis(methylamino)ethyl]-1-ethenyl-3-prop-2-enylideneguanidine has a molecular weight of 209.30 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-bis(methylamino)ethyl]-1-ethenyl-3-prop-2-enylideneguanidine is sourced from PubChem (CID 123660723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).