[8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol

C18H27NO — CID 114819821

IUPAC[8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol
SMILESCc1ccc(NC2(CO)CCC3(CCCC3)CC2)cc1
InChIInChI=1S/C18H27NO/c1-15-4-6-16(7-5-15)19-18(14-20)12-10-17(11-13-18)8-2-3-9-17/h4-7,19-20H,2-3,8-14H2,1H3
InChIKeyWSGNYPGEWRYPGG-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.27
Rot. Bonds3

About [8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol

[8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol (PubChem CID 114819821) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is [8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol.

Molecular Properties

Compound Name[8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol
PubChem CID114819821
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name[8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol
SMILESCc1ccc(NC2(CO)CCC3(CCCC3)CC2)cc1
InChIInChI=1S/C18H27NO/c1-15-4-6-16(7-5-15)19-18(14-20)12-10-17(11-13-18)8-2-3-9-17/h4-7,19-20H,2-3,8-14H2,1H3
InChIKeyWSGNYPGEWRYPGG-UHFFFAOYSA-N
XLogP4.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol?
The IUPAC name of [8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol (CID 114819821) is [8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol.
What is the SMILES notation for [8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol?
The canonical SMILES for [8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol is Cc1ccc(NC2(CO)CCC3(CCCC3)CC2)cc1.
What is the InChIKey of [8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol?
The InChIKey is WSGNYPGEWRYPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-15-4-6-16(7-5-15)19-18(14-20)12-10-17(11-13-18)8-2-3-9-17/h4-7,19-20H,2-3,8-14H2,1H3.
What are the key properties of [8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol?
[8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol has a molecular weight of 273.42 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol is sourced from PubChem (CID 114819821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).