[2-hydroxy-3-(2-methylbutylamino)propyl]-trimethylazanium

C11H27N2O+ — CID 59894033

IUPAC[2-hydroxy-3-(2-methylbutylamino)propyl]-trimethylazanium
SMILESCCC(C)CNCC(O)C[N+](C)(C)C
InChIInChI=1S/C11H27N2O/c1-6-10(2)7-12-8-11(14)9-13(3,4)5/h10-12,14H,6-9H2,1-5H3/q+1
InChIKeyRUFHAIDHVAMIJI-UHFFFAOYSA-N
MW203.35 g/mol
LogP0.69
Rot. Bonds7

About [2-hydroxy-3-(2-methylbutylamino)propyl]-trimethylazanium

[2-hydroxy-3-(2-methylbutylamino)propyl]-trimethylazanium (PubChem CID 59894033) has the molecular formula C11H27N2O+ and a molecular weight of 203.35 g/mol. Its IUPAC name is [2-hydroxy-3-(2-methylbutylamino)propyl]-trimethylazanium.

Molecular Properties

Compound Name[2-hydroxy-3-(2-methylbutylamino)propyl]-trimethylazanium
PubChem CID59894033
Molecular FormulaC11H27N2O+
Molecular Weight203.35 g/mol
Exact Mass203.21
IUPAC Name[2-hydroxy-3-(2-methylbutylamino)propyl]-trimethylazanium
SMILESCCC(C)CNCC(O)C[N+](C)(C)C
InChIInChI=1S/C11H27N2O/c1-6-10(2)7-12-8-11(14)9-13(3,4)5/h10-12,14H,6-9H2,1-5H3/q+1
InChIKeyRUFHAIDHVAMIJI-UHFFFAOYSA-N
XLogP0.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Amino-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 3161650
1-Amino-3-(diethylamino)propan-2-ol
CID 97749
2-((3-Methylbutyl)amino)ethan-1-ol
CID 278477
2-(2-Methylbutylamino)-ethanol
CID 296374
(2S)-1-[3-[[(2R)-3-(cyclopropylmethylamino)-2-hydroxypropyl]amino]propylamino]-3-(ethylamino)propan-2-ol
CID 11722479
1-Amino-3-(4-aminobutylamino)propan-2-ol
CID 101196139
[3-(Dimethylamino)-2-hydroxypropyl](methyl)amine
CID 12700841
1-[(3-Aminopropyl)-(2-hydroxypropyl)-amino]propan-2-OL
CID 22266927
1,3-Bis(tert-butylamino)propan-2-ol
CID 4408839
1-(Ethylamino)-3-(4-methyl-1-piperidinyl)-2-propanol
CID 2836730
1-(Tert-butylamino)-3-(methylamino)propan-2-ol
CID 2838509
1-[2-(Dimethylamino)ethylamino]butan-2-ol
CID 60886216

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2-methylbutylamino)propyl]-trimethylazanium?
The IUPAC name of [2-hydroxy-3-(2-methylbutylamino)propyl]-trimethylazanium (CID 59894033) is [2-hydroxy-3-(2-methylbutylamino)propyl]-trimethylazanium.
What is the SMILES notation for [2-hydroxy-3-(2-methylbutylamino)propyl]-trimethylazanium?
The canonical SMILES for [2-hydroxy-3-(2-methylbutylamino)propyl]-trimethylazanium is CCC(C)CNCC(O)C[N+](C)(C)C.
What is the InChIKey of [2-hydroxy-3-(2-methylbutylamino)propyl]-trimethylazanium?
The InChIKey is RUFHAIDHVAMIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N2O/c1-6-10(2)7-12-8-11(14)9-13(3,4)5/h10-12,14H,6-9H2,1-5H3/q+1.
What are the key properties of [2-hydroxy-3-(2-methylbutylamino)propyl]-trimethylazanium?
[2-hydroxy-3-(2-methylbutylamino)propyl]-trimethylazanium has a molecular weight of 203.35 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2-methylbutylamino)propyl]-trimethylazanium is sourced from PubChem (CID 59894033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).