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

C19H30N3+ — CID 87087016

IUPACbis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium
SMILESC=CCN(CC=C)C(N(CC=C)CC=C)=[N+](CC=C)CC=C
InChIInChI=1S/C19H30N3/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/q+1
InChIKeyBTBVVQVKGWVWBB-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.07
Rot. Bonds12

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

bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium (PubChem CID 87087016) has the molecular formula C19H30N3+ and a molecular weight of 300.47 g/mol. Its IUPAC name is bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Namebis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium
PubChem CID87087016
Molecular FormulaC19H30N3+
Molecular Weight300.47 g/mol
Exact Mass300.24
IUPAC Namebis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium
SMILESC=CCN(CC=C)C(N(CC=C)CC=C)=[N+](CC=C)CC=C
InChIInChI=1S/C19H30N3/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/q+1
InChIKeyBTBVVQVKGWVWBB-UHFFFAOYSA-N
XLogP3.07
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.07
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

CID 13561191
CID 13561191
CID 87191860
CID 87191860
CID 87701006
CID 87701006
CID 13127897
CID 13127897
CID 129783361
CID 129783361
CID 21753361
CID 21753361
CID 23281969
CID 23281969
CID 70152908
CID 70152908
CID 87064906
CID 87064906
CID 87117945
CID 87117945
CID 87117946
CID 87117946
CID 87159101
CID 87159101

Frequently Asked Questions

What is the IUPAC name of bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium?
The IUPAC name of bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium (CID 87087016) is bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium.
What is the SMILES notation for bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium?
The canonical SMILES for bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium is C=CCN(CC=C)C(N(CC=C)CC=C)=[N+](CC=C)CC=C.
What is the InChIKey of bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium?
The InChIKey is BTBVVQVKGWVWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N3/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/q+1.
What are the key properties of bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium?
bis[bis(prop-2-enyl)amino]methylidene-bis(prop-2-enyl)azanium has a molecular weight of 300.47 g/mol, XLogP of 3.07, 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 is sourced from PubChem (CID 87087016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).