8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid

C18H25NO2 — CID 114818360

IUPAC8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid
SMILESCc1ccccc1NC1(C(=O)O)CCC2(CCCC2)CC1
InChIInChI=1S/C18H25NO2/c1-14-6-2-3-7-15(14)19-18(16(20)21)12-10-17(11-13-18)8-4-5-9-17/h2-3,6-7,19H,4-5,8-13H2,1H3,(H,20,21)
InChIKeyHZZJMAKOYKBUGD-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.36
Rot. Bonds3

About 8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid

8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid (PubChem CID 114818360) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid
PubChem CID114818360
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid
SMILESCc1ccccc1NC1(C(=O)O)CCC2(CCCC2)CC1
InChIInChI=1S/C18H25NO2/c1-14-6-2-3-7-15(14)19-18(16(20)21)12-10-17(11-13-18)8-4-5-9-17/h2-3,6-7,19H,4-5,8-13H2,1H3,(H,20,21)
InChIKeyHZZJMAKOYKBUGD-UHFFFAOYSA-N
XLogP4.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-(2-methylanilino)cycloheptane-1-carboxylic acid
CID 65085552
4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 60992313
2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 79848111
8-methyl-3-(2-methylanilino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60992317
1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103563434
1-(2-bromoanilino)cyclohexane-1-carboxylic acid
CID 60992832
1-(2-chloroanilino)cycloheptane-1-carboxylic acid
CID 60990839
1-(2-fluoroanilino)cyclooctane-1-carboxylic acid
CID 60993611
1-(2-bromoanilino)cyclobutane-1-carboxylic acid
CID 62389463
2-(2-methylanilino)-1,3-dihydroindene-2-carboxamide
CID 61006409
3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide
CID 80705798
3-(2-methylanilino)piperidine-3-carboxamide
CID 79308355

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid (CID 114818360) is 8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid is Cc1ccccc1NC1(C(=O)O)CCC2(CCCC2)CC1.
What is the InChIKey of 8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid?
The InChIKey is HZZJMAKOYKBUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14-6-2-3-7-15(14)19-18(16(20)21)12-10-17(11-13-18)8-4-5-9-17/h2-3,6-7,19H,4-5,8-13H2,1H3,(H,20,21).
What are the key properties of 8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid?
8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid has a molecular weight of 287.40 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 114818360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).