2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol

C17H25NO — CID 76775232

IUPAC2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2CC1NCC1CCCCCC1
InChIInChI=1S/C17H25NO/c19-17-15-10-6-5-9-14(15)11-16(17)18-12-13-7-3-1-2-4-8-13/h5-6,9-10,13,16-19H,1-4,7-8,11-12H2
InChIKeyBBOABNVUVYAQFP-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.20
Rot. Bonds3

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

2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol (PubChem CID 76775232) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol
PubChem CID76775232
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2CC1NCC1CCCCCC1
InChIInChI=1S/C17H25NO/c19-17-15-10-6-5-9-14(15)11-16(17)18-12-13-7-3-1-2-4-8-13/h5-6,9-10,13,16-19H,1-4,7-8,11-12H2
InChIKeyBBOABNVUVYAQFP-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol
CID 58393877
(1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol
CID 99831571
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol
CID 66396568
trans-(1R,2R)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentan-1-ol
CID 102733675
cis-(1S,2R)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 51614343
trans-(1S,2S)-2-(cyclohexylmethylamino)cyclohexan-1-ol
CID 11615431
N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921
N-(cyclobutylmethyl)-9,10-dihydroanthracen-9-amine
CID 62921103
(1S,2R)-2-[(5-tert-butyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-1-ol
CID 124726602
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-cyclohexylacetamide
CID 114312904
N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 130969150

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol (CID 76775232) is 2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol is OC1c2ccccc2CC1NCC1CCCCCC1.
What is the InChIKey of 2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is BBOABNVUVYAQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c19-17-15-10-6-5-9-14(15)11-16(17)18-12-13-7-3-1-2-4-8-13/h5-6,9-10,13,16-19H,1-4,7-8,11-12H2.
What are the key properties of 2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol?
2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 259.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 76775232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).