6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine

C18H26N2 — CID 63481112

IUPAC6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(C)nc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C18H26N2/c1-7-10-19-17-12(2)13(3)20-16-9-8-14(11-15(16)17)18(4,5)6/h8-9,11H,7,10H2,1-6H3,(H,19,20)
InChIKeyVANNTPAVDCGHSJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.97
Rot. Bonds3

About 6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine

6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine (PubChem CID 63481112) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine
PubChem CID63481112
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(C)nc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C18H26N2/c1-7-10-19-17-12(2)13(3)20-16-9-8-14(11-15(16)17)18(4,5)6/h8-9,11H,7,10H2,1-6H3,(H,19,20)
InChIKeyVANNTPAVDCGHSJ-UHFFFAOYSA-N
XLogP4.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 63480956
6-tert-butyl-2-ethyl-3-methyl-N-propylquinolin-4-amine
CID 63553537
6-iodo-2,3-dimethyl-N-propylquinolin-4-amine
CID 63480524
6,7-dimethoxy-2,3-dimethyl-N-propylquinolin-4-amine
CID 62203946
6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine
CID 103996873
6-tert-butyl-2-ethyl-N-propylquinolin-4-amine
CID 63480958
1-(6-tert-butyl-2,3-dimethylquinolin-4-yl)ethanone
CID 175328569
6-ethoxy-N-ethyl-2,3-dimethylquinolin-4-amine
CID 62202534
6-ethoxy-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 63480039
7-[1,1-bis(methylsulfonyl)ethyl]-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 139794164
6-tert-butyl-4-chloro-2-methyl-3-propan-2-ylquinoline
CID 63408659
6-chloro-2,3,8-trimethyl-N-propylquinolin-4-amine
CID 63481134

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine?
The IUPAC name of 6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine (CID 63481112) is 6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine.
What is the SMILES notation for 6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine?
The canonical SMILES for 6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine is CCCNc1c(C)c(C)nc2ccc(C(C)(C)C)cc12.
What is the InChIKey of 6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine?
The InChIKey is VANNTPAVDCGHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-7-10-19-17-12(2)13(3)20-16-9-8-14(11-15(16)17)18(4,5)6/h8-9,11H,7,10H2,1-6H3,(H,19,20).
What are the key properties of 6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine?
6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine has a molecular weight of 270.42 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3-dimethyl-N-propylquinolin-4-amine is sourced from PubChem (CID 63481112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).