(2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone

C18H26N2O — CID 62936838

IUPAC(2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
SMILESCc1cccc(C(=O)N2CCC3(CCCCC3)CC2)c1N
InChIInChI=1S/C18H26N2O/c1-14-6-5-7-15(16(14)19)17(21)20-12-10-18(11-13-20)8-3-2-4-9-18/h5-7H,2-4,8-13,19H2,1H3
InChIKeyQCVJXXLDMRYIHU-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.76
Rot. Bonds1

About (2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone

(2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone (PubChem CID 62936838) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
PubChem CID62936838
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
SMILESCc1cccc(C(=O)N2CCC3(CCCCC3)CC2)c1N
InChIInChI=1S/C18H26N2O/c1-14-6-5-7-15(16(14)19)17(21)20-12-10-18(11-13-20)8-3-2-4-9-18/h5-7H,2-4,8-13,19H2,1H3
InChIKeyQCVJXXLDMRYIHU-UHFFFAOYSA-N
XLogP3.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-azaspiro[4.5]decan-8-yl-(2-hydroxyphenyl)methanone
CID 63161441
(2-amino-3-methylphenyl)-(4-sulfanylpiperidin-1-yl)methanone
CID 142233688
(2-amino-3-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133107
(2-amino-3-methylphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62091780
3-azaspiro[5.5]undecan-3-yl-(2-methyl-5-sulfanylphenyl)methanone
CID 107028893
methyl 1-(2-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 60682146
(5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62938056
methyl 1-(2-amino-3-methylbenzoyl)piperidine-3-carboxylate
CID 115532995
(2-amino-3-methylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63972261
3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone
CID 62930011
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
(2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677500

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone?
The IUPAC name of (2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone (CID 62936838) is (2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone.
What is the SMILES notation for (2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone?
The canonical SMILES for (2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone is Cc1cccc(C(=O)N2CCC3(CCCCC3)CC2)c1N.
What is the InChIKey of (2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone?
The InChIKey is QCVJXXLDMRYIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-6-5-7-15(16(14)19)17(21)20-12-10-18(11-13-20)8-3-2-4-9-18/h5-7H,2-4,8-13,19H2,1H3.
What are the key properties of (2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone?
(2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone is sourced from PubChem (CID 62936838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).