bis(diethylamino)methylidene-bis(prop-2-enyl)azanium chloride

C15H30ClN3 — CID 13127897

IUPACbis(diethylamino)methylidene-bis(prop-2-enyl)azanium chloride
SMILESC=CC[N+](CC=C)=C(N(CC)CC)N(CC)CC.[Cl-]
InChIInChI=1S/C15H30N3.ClH/c1-7-13-18(14-8-2)15(16(9-3)10-4)17(11-5)12-6;/h7-8H,1-2,9-14H2,3-6H3;1H/q+1;/p-1
InChIKeyFICUUPMTWDRQHX-UHFFFAOYSA-M
MW287.88 g/mol
LogP-0.59
Rot. Bonds8

About bis(diethylamino)methylidene-bis(prop-2-enyl)azanium chloride

bis(diethylamino)methylidene-bis(prop-2-enyl)azanium chloride (PubChem CID 13127897) has the molecular formula C15H30ClN3 and a molecular weight of 287.88 g/mol. Its IUPAC name is bis(diethylamino)methylidene-bis(prop-2-enyl)azanium chloride.

Molecular Properties

Compound Namebis(diethylamino)methylidene-bis(prop-2-enyl)azanium chloride
PubChem CID13127897
Molecular FormulaC15H30ClN3
Molecular Weight287.88 g/mol
Exact Mass287.21
IUPAC Namebis(diethylamino)methylidene-bis(prop-2-enyl)azanium chloride
SMILESC=CC[N+](CC=C)=C(N(CC)CC)N(CC)CC.[Cl-]
InChIInChI=1S/C15H30N3.ClH/c1-7-13-18(14-8-2)15(16(9-3)10-4)17(11-5)12-6;/h7-8H,1-2,9-14H2,3-6H3;1H/q+1;/p-1
InChIKeyFICUUPMTWDRQHX-UHFFFAOYSA-M
XLogP-0.59
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.88
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze bis(diethylamino)methylidene-bis(prop-2-enyl)azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Allyl-1,1,3,3-tetramethylguanidine
CID 13561191
tris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium
CID 87191860
2,2-Diallyl-1,1,3,3-tetramethylguanidinium chloride
CID 129783361
1,1-Diallylbiguanide monohydrochloride
CID 16206543
1,2-Bis(prop-2-enyl)-1-propylguanidine
CID 23281969
N-ethyl-N-(4H-pyrimidin-3-ylmethyl)ethanamine
CID 69847454
tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium
CID 87064906
Bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium
CID 87087016
tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium chloride
CID 87117945
Bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium chloride
CID 87117946
tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium bromide
CID 87159101
Bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium bromide
CID 87159102

Frequently Asked Questions

What is the IUPAC name of bis(diethylamino)methylidene-bis(prop-2-enyl)azanium chloride?
The IUPAC name of bis(diethylamino)methylidene-bis(prop-2-enyl)azanium chloride (CID 13127897) is bis(diethylamino)methylidene-bis(prop-2-enyl)azanium chloride.
What is the SMILES notation for bis(diethylamino)methylidene-bis(prop-2-enyl)azanium chloride?
The canonical SMILES for bis(diethylamino)methylidene-bis(prop-2-enyl)azanium chloride is C=CC[N+](CC=C)=C(N(CC)CC)N(CC)CC.[Cl-].
What is the InChIKey of bis(diethylamino)methylidene-bis(prop-2-enyl)azanium chloride?
The InChIKey is FICUUPMTWDRQHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H30N3.ClH/c1-7-13-18(14-8-2)15(16(9-3)10-4)17(11-5)12-6;/h7-8H,1-2,9-14H2,3-6H3;1H/q+1;/p-1.
What are the key properties of bis(diethylamino)methylidene-bis(prop-2-enyl)azanium chloride?
bis(diethylamino)methylidene-bis(prop-2-enyl)azanium chloride has a molecular weight of 287.88 g/mol, XLogP of -0.59, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethylamino)methylidene-bis(prop-2-enyl)azanium chloride is sourced from PubChem (CID 13127897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).