1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol

C16H27NO2S — CID 79358228

IUPAC1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCC1(C)C(CNCC(O)COCc2cccs2)C1(C)C
InChIInChI=1S/C16H27NO2S/c1-15(2)14(16(15,3)4)9-17-8-12(18)10-19-11-13-6-5-7-20-13/h5-7,12,14,17-18H,8-11H2,1-4H3
InChIKeyUFGZQSCAIKZHCE-UHFFFAOYSA-N
MW297.46 g/mol
LogP2.90
Rot. Bonds8

About 1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol

1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 79358228) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID79358228
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCC1(C)C(CNCC(O)COCc2cccs2)C1(C)C
InChIInChI=1S/C16H27NO2S/c1-15(2)14(16(15,3)4)9-17-8-12(18)10-19-11-13-6-5-7-20-13/h5-7,12,14,17-18H,8-11H2,1-4H3
InChIKeyUFGZQSCAIKZHCE-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol
CID 106133162
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
1-(3-methylsulfanylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 63966458
(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2119639
1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61171076
3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
CID 106285514
1-(oxan-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 55014565
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
1-[2-(furan-2-yl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 54907292
(2S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2101327
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
CID 54937741
5-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-4,4-dimethylpentan-1-ol
CID 106147082

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 79358228) is 1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol is CC1(C)C(CNCC(O)COCc2cccs2)C1(C)C.
What is the InChIKey of 1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is UFGZQSCAIKZHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-15(2)14(16(15,3)4)9-17-8-12(18)10-19-11-13-6-5-7-20-13/h5-7,12,14,17-18H,8-11H2,1-4H3.
What are the key properties of 1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 297.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 79358228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).