[1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol

C17H25NO — CID 61054556

IUPAC[1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol
SMILESOCC1(NC2CCCCCC2)CCc2ccccc21
InChIInChI=1S/C17H25NO/c19-13-17(18-15-8-3-1-2-4-9-15)12-11-14-7-5-6-10-16(14)17/h5-7,10,15,18-19H,1-4,8-9,11-13H2
InChIKeyQHNLYUYEIFEJOU-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.13
Rot. Bonds3

About [1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol

[1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol (PubChem CID 61054556) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol.

Molecular Properties

Compound Name[1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol
PubChem CID61054556
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol
SMILESOCC1(NC2CCCCCC2)CCc2ccccc21
InChIInChI=1S/C17H25NO/c19-13-17(18-15-8-3-1-2-4-9-15)12-11-14-7-5-6-10-16(14)17/h5-7,10,15,18-19H,1-4,8-9,11-13H2
InChIKeyQHNLYUYEIFEJOU-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol
CID 61045098
[2-(cycloheptylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
CID 61055365
[2-(cyclohexylamino)-1,3-dihydroinden-2-yl]methanol
CID 61047122
1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid
CID 61001988
[1-(ethylamino)-2,3-dihydroinden-1-yl]methanol
CID 61050687
[1-(methylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 61054317
methyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate
CID 60998070
(5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61046616
(1-cyclohexyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 82944714
5-(cyclohexylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carbonitrile
CID 60998375
[1-(4-bromoanilino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 61048656
[1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol
CID 61049623

Frequently Asked Questions

What is the IUPAC name of [1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol?
The IUPAC name of [1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol (CID 61054556) is [1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol.
What is the SMILES notation for [1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol?
The canonical SMILES for [1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol is OCC1(NC2CCCCCC2)CCc2ccccc21.
What is the InChIKey of [1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol?
The InChIKey is QHNLYUYEIFEJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c19-13-17(18-15-8-3-1-2-4-9-15)12-11-14-7-5-6-10-16(14)17/h5-7,10,15,18-19H,1-4,8-9,11-13H2.
What are the key properties of [1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol?
[1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol has a molecular weight of 259.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol is sourced from PubChem (CID 61054556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).