1-amino-2,3,4,5-tetrahydro-1H-inden-2-ol;ethane

C11H19NO — CID 143346469

IUPAC1-amino-2,3,4,5-tetrahydro-1H-inden-2-ol;ethane
SMILESCC.NC1C2=C(CCC=C2)CC1O
InChIInChI=1S/C9H13NO.C2H6/c10-9-7-4-2-1-3-6(7)5-8(9)11;1-2/h2,4,8-9,11H,1,3,5,10H2;1-2H3
InChIKeyCQBKNAGRFYDTFC-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.75
Rot. Bonds

About 1-amino-2,3,4,5-tetrahydro-1H-inden-2-ol;ethane

1-amino-2,3,4,5-tetrahydro-1H-inden-2-ol;ethane (PubChem CID 143346469) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-amino-2,3,4,5-tetrahydro-1H-inden-2-ol;ethane.

Molecular Properties

Compound Name1-amino-2,3,4,5-tetrahydro-1H-inden-2-ol;ethane
PubChem CID143346469
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-amino-2,3,4,5-tetrahydro-1H-inden-2-ol;ethane
SMILESCC.NC1C2=C(CCC=C2)CC1O
InChIInChI=1S/C9H13NO.C2H6/c10-9-7-4-2-1-3-6(7)5-8(9)11;1-2/h2,4,8-9,11H,1,3,5,10H2;1-2H3
InChIKeyCQBKNAGRFYDTFC-UHFFFAOYSA-N
XLogP1.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-Amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol
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2-Amino-11,13-tetradecadien-3-ol
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(2R,3Z,7E,9E,13R)-2-amino-13-methoxy-10-methylhexadeca-3,7,9,15-tetraen-1-ol
CID 11077232
2-Amino-2-cyclohexa-1,3-dien-1-ylethanol
CID 58695465
(1S,2R)-2-amino-1-cyclohexa-1,3-dien-1-ylpropan-1-ol
CID 68242647
(2S,3R)-2-aminotetradeca-11,13-dien-3-ol
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(1S,2R,4Z,6Z)-2-amino-3-methylidenecyclonona-4,6-dien-1-ol
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1-(ethylamino)-2,3,4,5-tetrahydro-1H-inden-2-ol
CID 123990062

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,3,4,5-tetrahydro-1H-inden-2-ol;ethane?
The IUPAC name of 1-amino-2,3,4,5-tetrahydro-1H-inden-2-ol;ethane (CID 143346469) is 1-amino-2,3,4,5-tetrahydro-1H-inden-2-ol;ethane.
What is the SMILES notation for 1-amino-2,3,4,5-tetrahydro-1H-inden-2-ol;ethane?
The canonical SMILES for 1-amino-2,3,4,5-tetrahydro-1H-inden-2-ol;ethane is CC.NC1C2=C(CCC=C2)CC1O.
What is the InChIKey of 1-amino-2,3,4,5-tetrahydro-1H-inden-2-ol;ethane?
The InChIKey is CQBKNAGRFYDTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c10-9-7-4-2-1-3-6(7)5-8(9)11;1-2/h2,4,8-9,11H,1,3,5,10H2;1-2H3.
What are the key properties of 1-amino-2,3,4,5-tetrahydro-1H-inden-2-ol;ethane?
1-amino-2,3,4,5-tetrahydro-1H-inden-2-ol;ethane has a molecular weight of 181.28 g/mol, XLogP of 1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,3,4,5-tetrahydro-1H-inden-2-ol;ethane is sourced from PubChem (CID 143346469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).