bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium bromide

C19H30BrN3 — CID 87159102

IUPACbis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium bromide
SMILESC=CCN(CC=C)C(N(CC=C)CC=C)=[N+](CC=C)CC=C.[Br-]
InChIInChI=1S/C19H30N3.BrH/c1-7-13-20(14-8-2)19(21(15-9-3)16-10-4)22(17-11-5)18-12-6;/h7-12H,1-6,13-18H2;1H/q+1;/p-1
InChIKeyDIUSFJMILKGQGK-UHFFFAOYSA-M
MW380.37 g/mol
LogP0.08
Rot. Bonds12

About bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium bromide

bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium bromide (PubChem CID 87159102) has the molecular formula C19H30BrN3 and a molecular weight of 380.37 g/mol. Its IUPAC name is bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium bromide.

Molecular Properties

Compound Namebis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium bromide
PubChem CID87159102
Molecular FormulaC19H30BrN3
Molecular Weight380.37 g/mol
Exact Mass379.16
IUPAC Namebis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium bromide
SMILESC=CCN(CC=C)C(N(CC=C)CC=C)=[N+](CC=C)CC=C.[Br-]
InChIInChI=1S/C19H30N3.BrH/c1-7-13-20(14-8-2)19(21(15-9-3)16-10-4)22(17-11-5)18-12-6;/h7-12H,1-6,13-18H2;1H/q+1;/p-1
InChIKeyDIUSFJMILKGQGK-UHFFFAOYSA-M
XLogP0.08
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 50.08
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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Frequently Asked Questions

What is the IUPAC name of bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium bromide?
The IUPAC name of bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium bromide (CID 87159102) is bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium bromide.
What is the SMILES notation for bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium bromide?
The canonical SMILES for bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium bromide is C=CCN(CC=C)C(N(CC=C)CC=C)=[N+](CC=C)CC=C.[Br-].
What is the InChIKey of bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium bromide?
The InChIKey is DIUSFJMILKGQGK-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H30N3.BrH/c1-7-13-20(14-8-2)19(21(15-9-3)16-10-4)22(17-11-5)18-12-6;/h7-12H,1-6,13-18H2;1H/q+1;/p-1.
What are the key properties of bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium bromide?
bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium bromide has a molecular weight of 380.37 g/mol, XLogP of 0.08, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium bromide is sourced from PubChem (CID 87159102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).