(2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol

C13H17NO — CID 58393877

IUPAC(2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2C[C@@H]1NC1CCC1
InChIInChI=1S/C13H17NO/c15-13-11-7-2-1-4-9(11)8-12(13)14-10-5-3-6-10/h1-2,4,7,10,12-15H,3,5-6,8H2/t12-,13?/m0/s1
InChIKeyXGQFBAORIUWTPX-UEWDXFNNSA-N
MW203.29 g/mol
LogP1.79
Rot. Bonds2

About (2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol

(2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol (PubChem CID 58393877) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol
PubChem CID58393877
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2C[C@@H]1NC1CCC1
InChIInChI=1S/C13H17NO/c15-13-11-7-2-1-4-9(11)8-12(13)14-10-5-3-6-10/h1-2,4,7,10,12-15H,3,5-6,8H2/t12-,13?/m0/s1
InChIKeyXGQFBAORIUWTPX-UEWDXFNNSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823688
N-[4-[[(1S,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823686
N-[4-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]cyclohexyl]acetamide
CID 99823685
(1S,2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidin-4-yl]amino]-2,3-dihydro-1H-inden-1-ol
CID 70105865
2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol
CID 76775232
1-(cyclopropylamino)-2,3-dihydro-1H-inden-2-ol
CID 77423862
N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 130969150
N-cyclopentyl-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 115889725
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol
CID 130142398
(1S,2R)-2-[(5-tert-butyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-1-ol
CID 124726602
trans-(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclohexan-1-ol
CID 94414341

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol (CID 58393877) is (2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol is OC1c2ccccc2C[C@@H]1NC1CCC1.
What is the InChIKey of (2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is XGQFBAORIUWTPX-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H17NO/c15-13-11-7-2-1-4-9(11)8-12(13)14-10-5-3-6-10/h1-2,4,7,10,12-15H,3,5-6,8H2/t12-,13?/m0/s1.
What are the key properties of (2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol?
(2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 203.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 58393877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).