N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine

C18H26N2 — CID 81222174

IUPACN-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine
SMILESCc1ccc2cc(CC(C)CNC(C)(C)C)ccc2n1
InChIInChI=1S/C18H26N2/c1-13(12-19-18(3,4)5)10-15-7-9-17-16(11-15)8-6-14(2)20-17/h6-9,11,13,19H,10,12H2,1-5H3
InChIKeyRLWCVJOPFWDLJG-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.11
Rot. Bonds4

About N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine

N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine (PubChem CID 81222174) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine
PubChem CID81222174
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine
SMILESCc1ccc2cc(CC(C)CNC(C)(C)C)ccc2n1
InChIInChI=1S/C18H26N2/c1-13(12-19-18(3,4)5)10-15-7-9-17-16(11-15)8-6-14(2)20-17/h6-9,11,13,19H,10,12H2,1-5H3
InChIKeyRLWCVJOPFWDLJG-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine (CID 81222174) is N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine is Cc1ccc2cc(CC(C)CNC(C)(C)C)ccc2n1.
What is the InChIKey of N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine?
The InChIKey is RLWCVJOPFWDLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-13(12-19-18(3,4)5)10-15-7-9-17-16(11-15)8-6-14(2)20-17/h6-9,11,13,19H,10,12H2,1-5H3.
What are the key properties of N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine?
N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-(2-methylquinolin-6-yl)propan-1-amine is sourced from PubChem (CID 81222174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).