2-hydroxyethyl-methyl-(2-methylprop-2-enyl)-[2-(propan-2-ylamino)ethyl]azanium

C12H27N2O+ — CID 122519049

IUPAC2-hydroxyethyl-methyl-(2-methylprop-2-enyl)-[2-(propan-2-ylamino)ethyl]azanium
SMILESC=C(C)C[N+](C)(CCO)CCNC(C)C
InChIInChI=1S/C12H27N2O/c1-11(2)10-14(5,8-9-15)7-6-13-12(3)4/h12-13,15H,1,6-10H2,2-5H3/q+1
InChIKeyZSILRBRHCYQQPI-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.00
Rot. Bonds8

About 2-hydroxyethyl-methyl-(2-methylprop-2-enyl)-[2-(propan-2-ylamino)ethyl]azanium

2-hydroxyethyl-methyl-(2-methylprop-2-enyl)-[2-(propan-2-ylamino)ethyl]azanium (PubChem CID 122519049) has the molecular formula C12H27N2O+ and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-hydroxyethyl-methyl-(2-methylprop-2-enyl)-[2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Name2-hydroxyethyl-methyl-(2-methylprop-2-enyl)-[2-(propan-2-ylamino)ethyl]azanium
PubChem CID122519049
Molecular FormulaC12H27N2O+
Molecular Weight215.36 g/mol
Exact Mass215.21
IUPAC Name2-hydroxyethyl-methyl-(2-methylprop-2-enyl)-[2-(propan-2-ylamino)ethyl]azanium
SMILESC=C(C)C[N+](C)(CCO)CCNC(C)C
InChIInChI=1S/C12H27N2O/c1-11(2)10-14(5,8-9-15)7-6-13-12(3)4/h12-13,15H,1,6-10H2,2-5H3/q+1
InChIKeyZSILRBRHCYQQPI-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-methyl-(2-methylprop-2-enyl)-[2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of 2-hydroxyethyl-methyl-(2-methylprop-2-enyl)-[2-(propan-2-ylamino)ethyl]azanium (CID 122519049) is 2-hydroxyethyl-methyl-(2-methylprop-2-enyl)-[2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for 2-hydroxyethyl-methyl-(2-methylprop-2-enyl)-[2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for 2-hydroxyethyl-methyl-(2-methylprop-2-enyl)-[2-(propan-2-ylamino)ethyl]azanium is C=C(C)C[N+](C)(CCO)CCNC(C)C.
What is the InChIKey of 2-hydroxyethyl-methyl-(2-methylprop-2-enyl)-[2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is ZSILRBRHCYQQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N2O/c1-11(2)10-14(5,8-9-15)7-6-13-12(3)4/h12-13,15H,1,6-10H2,2-5H3/q+1.
What are the key properties of 2-hydroxyethyl-methyl-(2-methylprop-2-enyl)-[2-(propan-2-ylamino)ethyl]azanium?
2-hydroxyethyl-methyl-(2-methylprop-2-enyl)-[2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 215.36 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-methyl-(2-methylprop-2-enyl)-[2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 122519049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).