1-hydroxypropyl-methyl-bis(prop-2-enyl)azanium

C10H20NO+ — CID 174856591

IUPAC1-hydroxypropyl-methyl-bis(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)C(O)CC
InChIInChI=1S/C10H20NO/c1-5-8-11(4,9-6-2)10(12)7-3/h5-6,10,12H,1-2,7-9H2,3-4H3/q+1
InChIKeyXFKKUFKHSODICR-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.53
Rot. Bonds6

About 1-hydroxypropyl-methyl-bis(prop-2-enyl)azanium

1-hydroxypropyl-methyl-bis(prop-2-enyl)azanium (PubChem CID 174856591) has the molecular formula C10H20NO+ and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-hydroxypropyl-methyl-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Name1-hydroxypropyl-methyl-bis(prop-2-enyl)azanium
PubChem CID174856591
Molecular FormulaC10H20NO+
Molecular Weight170.28 g/mol
Exact Mass170.15
IUPAC Name1-hydroxypropyl-methyl-bis(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)C(O)CC
InChIInChI=1S/C10H20NO/c1-5-8-11(4,9-6-2)10(12)7-3/h5-6,10,12H,1-2,7-9H2,3-4H3/q+1
InChIKeyXFKKUFKHSODICR-UHFFFAOYSA-N
XLogP1.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(1-chloro-3-hydroxybutyl)-methyl-bis(prop-2-enyl)azanium chloride
CID 174720214
1-hydroxyethyl-dimethyl-prop-2-enylazanium chloride
CID 21429944
1-hydroxybutan-2-yl-dimethyl-prop-2-enylazanium;chloride;hydrate
CID 175241639
(1-ethoxy-1-oxopentan-2-yl)-methyl-bis(prop-2-enyl)azanium
CID 101084854
diethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride
CID 175037929
trimethyl(prop-2-enyl)azanium;dihydrochloride
CID 174494481
methyl-tris(prop-2-enyl)azanium iodide
CID 14172654
hex-5-en-3-ol
CID 158321330
(3S)-hex-5-en-3-ol
CID 10749148
[1,3-bis[didodecyl(tetradecyl)azaniumyl]-1,3-dioxopropan-2-yl]-methyl-bis(prop-2-enyl)azanium
CID 19843594
bis(2-ethoxy-1-hydroxyethyl)-ethyl-prop-2-enylazanium;polane;chloride
CID 173094386
carbonic acid;trimethyl(prop-2-enyl)azanium
CID 174635433

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropyl-methyl-bis(prop-2-enyl)azanium?
The IUPAC name of 1-hydroxypropyl-methyl-bis(prop-2-enyl)azanium (CID 174856591) is 1-hydroxypropyl-methyl-bis(prop-2-enyl)azanium.
What is the SMILES notation for 1-hydroxypropyl-methyl-bis(prop-2-enyl)azanium?
The canonical SMILES for 1-hydroxypropyl-methyl-bis(prop-2-enyl)azanium is C=CC[N+](C)(CC=C)C(O)CC.
What is the InChIKey of 1-hydroxypropyl-methyl-bis(prop-2-enyl)azanium?
The InChIKey is XFKKUFKHSODICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO/c1-5-8-11(4,9-6-2)10(12)7-3/h5-6,10,12H,1-2,7-9H2,3-4H3/q+1.
What are the key properties of 1-hydroxypropyl-methyl-bis(prop-2-enyl)azanium?
1-hydroxypropyl-methyl-bis(prop-2-enyl)azanium has a molecular weight of 170.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropyl-methyl-bis(prop-2-enyl)azanium is sourced from PubChem (CID 174856591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).