N-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine

C19H27N3 — CID 166183861

IUPACN-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine
SMILESCc1cc(NC2CCN(C(C)(C)C)CC2)c2ccccc2n1
InChIInChI=1S/C19H27N3/c1-14-13-18(16-7-5-6-8-17(16)20-14)21-15-9-11-22(12-10-15)19(2,3)4/h5-8,13,15H,9-12H2,1-4H3,(H,20,21)
InChIKeySFSQMAMRVRIKME-UHFFFAOYSA-N
MW297.45 g/mol
LogP4.22
Rot. Bonds2

About N-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine

N-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine (PubChem CID 166183861) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine
PubChem CID166183861
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine
SMILESCc1cc(NC2CCN(C(C)(C)C)CC2)c2ccccc2n1
InChIInChI=1S/C19H27N3/c1-14-13-18(16-7-5-6-8-17(16)20-14)21-15-9-11-22(12-10-15)19(2,3)4/h5-8,13,15H,9-12H2,1-4H3,(H,20,21)
InChIKeySFSQMAMRVRIKME-UHFFFAOYSA-N
XLogP4.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine (CID 166183861) is N-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine is Cc1cc(NC2CCN(C(C)(C)C)CC2)c2ccccc2n1.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine?
The InChIKey is SFSQMAMRVRIKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-14-13-18(16-7-5-6-8-17(16)20-14)21-15-9-11-22(12-10-15)19(2,3)4/h5-8,13,15H,9-12H2,1-4H3,(H,20,21).
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine?
N-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine has a molecular weight of 297.45 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine is sourced from PubChem (CID 166183861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).