5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C15H24N2O — CID 113260561

IUPAC5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(C)(C)CCNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C15H24N2O/c1-15(2,3)9-10-16-12-5-4-6-13-11(12)7-8-14(18)17-13/h7-8,12,16H,4-6,9-10H2,1-3H3,(H,17,18)
InChIKeyPDHGZTUCAVAZOS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.78
Rot. Bonds3

About 5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 113260561) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID113260561
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(C)(C)CCNC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C15H24N2O/c1-15(2,3)9-10-16-12-5-4-6-13-11(12)7-8-14(18)17-13/h7-8,12,16H,4-6,9-10H2,1-3H3,(H,17,18)
InChIKeyPDHGZTUCAVAZOS-UHFFFAOYSA-N
XLogP2.78
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 113260561) is 5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC(C)(C)CCNC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is PDHGZTUCAVAZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)9-10-16-12-5-4-6-13-11(12)7-8-14(18)17-13/h7-8,12,16H,4-6,9-10H2,1-3H3,(H,17,18).
What are the key properties of 5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 248.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 113260561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).