N-tert-butyl-2-methyl-3-quinolin-7-ylbutan-1-amine

C18H26N2 — CID 81223626

IUPACN-tert-butyl-2-methyl-3-quinolin-7-ylbutan-1-amine
SMILESCC(CNC(C)(C)C)C(C)c1ccc2cccnc2c1
InChIInChI=1S/C18H26N2/c1-13(12-20-18(3,4)5)14(2)16-9-8-15-7-6-10-19-17(15)11-16/h6-11,13-14,20H,12H2,1-5H3
InChIKeyOXKIXYFMBOXWOX-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.36
Rot. Bonds4

About N-tert-butyl-2-methyl-3-quinolin-7-ylbutan-1-amine

N-tert-butyl-2-methyl-3-quinolin-7-ylbutan-1-amine (PubChem CID 81223626) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-quinolin-7-ylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-quinolin-7-ylbutan-1-amine
PubChem CID81223626
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-tert-butyl-2-methyl-3-quinolin-7-ylbutan-1-amine
SMILESCC(CNC(C)(C)C)C(C)c1ccc2cccnc2c1
InChIInChI=1S/C18H26N2/c1-13(12-20-18(3,4)5)14(2)16-9-8-15-7-6-10-19-17(15)11-16/h6-11,13-14,20H,12H2,1-5H3
InChIKeyOXKIXYFMBOXWOX-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-methyl-3-quinolin-6-ylbutan-1-amine
CID 81223538
2-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine
CID 81222762
2-methyl-N-(2-quinolin-7-yloxypropyl)propan-2-amine
CID 107314978
N-ethyl-3-quinolin-7-ylbutan-2-amine
CID 81224003
N-ethyl-1-quinolin-7-ylethanamine
CID 81221005
2-(tert-butylamino)-1-quinolin-6-ylethanol
CID 81221991
2,2-dimethyl-1-quinolin-7-ylpropan-1-amine
CID 81220535
2-(2-methylpropylamino)-1-quinolin-7-ylethanol
CID 81221212
7-(4-bromopentan-2-yl)quinoline
CID 81221961
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
(3R)-3-quinolin-7-ylbutanal
CID 59922967
(2-ethoxy-2-methyl-1-quinolin-7-ylpropyl)hydrazine
CID 105274011

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-quinolin-7-ylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-quinolin-7-ylbutan-1-amine (CID 81223626) is N-tert-butyl-2-methyl-3-quinolin-7-ylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-quinolin-7-ylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-quinolin-7-ylbutan-1-amine is CC(CNC(C)(C)C)C(C)c1ccc2cccnc2c1.
What is the InChIKey of N-tert-butyl-2-methyl-3-quinolin-7-ylbutan-1-amine?
The InChIKey is OXKIXYFMBOXWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-13(12-20-18(3,4)5)14(2)16-9-8-15-7-6-10-19-17(15)11-16/h6-11,13-14,20H,12H2,1-5H3.
What are the key properties of N-tert-butyl-2-methyl-3-quinolin-7-ylbutan-1-amine?
N-tert-butyl-2-methyl-3-quinolin-7-ylbutan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 4.36, 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-quinolin-7-ylbutan-1-amine is sourced from PubChem (CID 81223626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).