(2S)-1-(2-methoxy-2-methylpropoxy)-2-(methylamino)but-3-en-1-ol

C10H21NO3 — CID 144582280

IUPAC(2S)-1-(2-methoxy-2-methylpropoxy)-2-(methylamino)but-3-en-1-ol
SMILESC=C[C@H](NC)C(O)OCC(C)(C)OC
InChIInChI=1S/C10H21NO3/c1-6-8(11-4)9(12)14-7-10(2,3)13-5/h6,8-9,11-12H,1,7H2,2-5H3/t8-,9?/m0/s1
InChIKeyLPBIMXBIZKETBL-IENPIDJESA-N
MW203.28 g/mol
LogP0.52
Rot. Bonds7

About (2S)-1-(2-methoxy-2-methylpropoxy)-2-(methylamino)but-3-en-1-ol

(2S)-1-(2-methoxy-2-methylpropoxy)-2-(methylamino)but-3-en-1-ol (PubChem CID 144582280) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (2S)-1-(2-methoxy-2-methylpropoxy)-2-(methylamino)but-3-en-1-ol.

Molecular Properties

Compound Name(2S)-1-(2-methoxy-2-methylpropoxy)-2-(methylamino)but-3-en-1-ol
PubChem CID144582280
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2S)-1-(2-methoxy-2-methylpropoxy)-2-(methylamino)but-3-en-1-ol
SMILESC=C[C@H](NC)C(O)OCC(C)(C)OC
InChIInChI=1S/C10H21NO3/c1-6-8(11-4)9(12)14-7-10(2,3)13-5/h6,8-9,11-12H,1,7H2,2-5H3/t8-,9?/m0/s1
InChIKeyLPBIMXBIZKETBL-IENPIDJESA-N
XLogP0.52
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-5-methylhex-1-en-3-ol
CID 103027593
(3R)-3-(methylamino)pent-4-en-2-ol
CID 118882918
6-methoxy-6-methylhept-1-en-4-ol
CID 103027433
4-ethoxy-N,5-dimethylhex-1-en-3-amine
CID 116721057
4-methoxy-N,5-dimethylhex-1-en-3-amine
CID 116719913
7-methoxy-7-methyloct-1-en-4-ol
CID 103035568
[2-(1-hydroxy-2-methylbut-3-enoxy)-2-methylpropyl] formate
CID 123452985
N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
CID 105161117
2-ethenyl-5-methoxy-2,5-dimethylhexan-1-ol
CID 103018143
2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol
CID 107907644
7-methoxy-N,7-dimethyloctan-3-amine
CID 103034550
1-cyclopropyl-1-methoxy-N-methylbut-3-en-2-amine
CID 116722148

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxy-2-methylpropoxy)-2-(methylamino)but-3-en-1-ol?
The IUPAC name of (2S)-1-(2-methoxy-2-methylpropoxy)-2-(methylamino)but-3-en-1-ol (CID 144582280) is (2S)-1-(2-methoxy-2-methylpropoxy)-2-(methylamino)but-3-en-1-ol.
What is the SMILES notation for (2S)-1-(2-methoxy-2-methylpropoxy)-2-(methylamino)but-3-en-1-ol?
The canonical SMILES for (2S)-1-(2-methoxy-2-methylpropoxy)-2-(methylamino)but-3-en-1-ol is C=C[C@H](NC)C(O)OCC(C)(C)OC.
What is the InChIKey of (2S)-1-(2-methoxy-2-methylpropoxy)-2-(methylamino)but-3-en-1-ol?
The InChIKey is LPBIMXBIZKETBL-IENPIDJESA-N. The full InChI is InChI=1S/C10H21NO3/c1-6-8(11-4)9(12)14-7-10(2,3)13-5/h6,8-9,11-12H,1,7H2,2-5H3/t8-,9?/m0/s1.
What are the key properties of (2S)-1-(2-methoxy-2-methylpropoxy)-2-(methylamino)but-3-en-1-ol?
(2S)-1-(2-methoxy-2-methylpropoxy)-2-(methylamino)but-3-en-1-ol has a molecular weight of 203.28 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxy-2-methylpropoxy)-2-(methylamino)but-3-en-1-ol is sourced from PubChem (CID 144582280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).