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

C15H30N3+ — CID 13127898

IUPACbis(diethylamino)methylidene-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)=C(N(CC)CC)N(CC)CC
InChIInChI=1S/C15H30N3/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/q+1
InChIKeyRGMVNEGWSSUKRC-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.41
Rot. Bonds8

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

bis(diethylamino)methylidene-bis(prop-2-enyl)azanium (PubChem CID 13127898) has the molecular formula C15H30N3+ and a molecular weight of 252.43 g/mol. Its IUPAC name is bis(diethylamino)methylidene-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Namebis(diethylamino)methylidene-bis(prop-2-enyl)azanium
PubChem CID13127898
Molecular FormulaC15H30N3+
Molecular Weight252.43 g/mol
Exact Mass252.24
IUPAC Namebis(diethylamino)methylidene-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)=C(N(CC)CC)N(CC)CC
InChIInChI=1S/C15H30N3/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/q+1
InChIKeyRGMVNEGWSSUKRC-UHFFFAOYSA-N
XLogP2.41
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.41
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'}

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Related Compounds

2-Allyl-1,1,3,3-tetramethylguanidine
CID 13561191
tris(prop-2-enyl)-(N'-prop-2-enylcarbamimidoyl)azanium
CID 87191860
CID 140734248
CID 140734248
[[Bis(prop-2-enyl)amino]-fluoromethylidene]-bis(prop-2-enyl)azanium
CID 87701006
2,2-Diallyl-1,1,3,3-tetraethylguanidinium chloride
CID 13127897
2,2-Diallyl-1,1,3,3-tetramethylguanidinium chloride
CID 129783361
1,1,2,3-Tetrakis(prop-2-enyl)guanidine
CID 21753361
1,2-Bis(prop-2-enyl)-1-propylguanidine
CID 23281969
1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
N-ethyl-N-(4H-pyrimidin-3-ylmethyl)ethanamine
CID 69847454
1,2,3-Tris(prop-2-enyl)-2,4-dihydro-1,3,5-triazine
CID 70152908
tris(prop-2-enyl)-[N,N,N'-tris(prop-2-enyl)carbamimidoyl]azanium
CID 87064906

Frequently Asked Questions

What is the IUPAC name of bis(diethylamino)methylidene-bis(prop-2-enyl)azanium?
The IUPAC name of bis(diethylamino)methylidene-bis(prop-2-enyl)azanium (CID 13127898) is bis(diethylamino)methylidene-bis(prop-2-enyl)azanium.
What is the SMILES notation for bis(diethylamino)methylidene-bis(prop-2-enyl)azanium?
The canonical SMILES for bis(diethylamino)methylidene-bis(prop-2-enyl)azanium is C=CC[N+](CC=C)=C(N(CC)CC)N(CC)CC.
What is the InChIKey of bis(diethylamino)methylidene-bis(prop-2-enyl)azanium?
The InChIKey is RGMVNEGWSSUKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N3/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/q+1.
What are the key properties of bis(diethylamino)methylidene-bis(prop-2-enyl)azanium?
bis(diethylamino)methylidene-bis(prop-2-enyl)azanium has a molecular weight of 252.43 g/mol, XLogP of 2.41, 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 is sourced from PubChem (CID 13127898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).