[3-[bis(prop-2-enyl)azaniumyl]-2-hydroxypropyl]-bis(prop-2-enyl)azanium

C15H28N2O+2 — CID 59110836

IUPAC[3-[bis(prop-2-enyl)azaniumyl]-2-hydroxypropyl]-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)CC(O)C[NH+](CC=C)CC=C
InChIInChI=1S/C15H26N2O/c1-5-9-16(10-6-2)13-15(18)14-17(11-7-3)12-8-4/h5-8,15,18H,1-4,9-14H2/p+2
InChIKeyAZBREXNLRPHATP-UHFFFAOYSA-P
MW252.40 g/mol
LogP-1.14
Rot. Bonds12

About [3-[bis(prop-2-enyl)azaniumyl]-2-hydroxypropyl]-bis(prop-2-enyl)azanium

[3-[bis(prop-2-enyl)azaniumyl]-2-hydroxypropyl]-bis(prop-2-enyl)azanium (PubChem CID 59110836) has the molecular formula C15H28N2O+2 and a molecular weight of 252.40 g/mol. Its IUPAC name is [3-[bis(prop-2-enyl)azaniumyl]-2-hydroxypropyl]-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Name[3-[bis(prop-2-enyl)azaniumyl]-2-hydroxypropyl]-bis(prop-2-enyl)azanium
PubChem CID59110836
Molecular FormulaC15H28N2O+2
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[3-[bis(prop-2-enyl)azaniumyl]-2-hydroxypropyl]-bis(prop-2-enyl)azanium
SMILESC=CC[NH+](CC=C)CC(O)C[NH+](CC=C)CC=C
InChIInChI=1S/C15H26N2O/c1-5-9-16(10-6-2)13-15(18)14-17(11-7-3)12-8-4/h5-8,15,18H,1-4,9-14H2/p+2
InChIKeyAZBREXNLRPHATP-UHFFFAOYSA-P
XLogP-1.14
TPSA29.11 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[bis(prop-2-enyl)azaniumyl]-2-hydroxypropyl]-bis(prop-2-enyl)azanium?
The IUPAC name of [3-[bis(prop-2-enyl)azaniumyl]-2-hydroxypropyl]-bis(prop-2-enyl)azanium (CID 59110836) is [3-[bis(prop-2-enyl)azaniumyl]-2-hydroxypropyl]-bis(prop-2-enyl)azanium.
What is the SMILES notation for [3-[bis(prop-2-enyl)azaniumyl]-2-hydroxypropyl]-bis(prop-2-enyl)azanium?
The canonical SMILES for [3-[bis(prop-2-enyl)azaniumyl]-2-hydroxypropyl]-bis(prop-2-enyl)azanium is C=CC[NH+](CC=C)CC(O)C[NH+](CC=C)CC=C.
What is the InChIKey of [3-[bis(prop-2-enyl)azaniumyl]-2-hydroxypropyl]-bis(prop-2-enyl)azanium?
The InChIKey is AZBREXNLRPHATP-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H26N2O/c1-5-9-16(10-6-2)13-15(18)14-17(11-7-3)12-8-4/h5-8,15,18H,1-4,9-14H2/p+2.
What are the key properties of [3-[bis(prop-2-enyl)azaniumyl]-2-hydroxypropyl]-bis(prop-2-enyl)azanium?
[3-[bis(prop-2-enyl)azaniumyl]-2-hydroxypropyl]-bis(prop-2-enyl)azanium has a molecular weight of 252.40 g/mol, XLogP of -1.14, 12 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[bis(prop-2-enyl)azaniumyl]-2-hydroxypropyl]-bis(prop-2-enyl)azanium is sourced from PubChem (CID 59110836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).