(4-tert-butyl-7-methylquinolin-3-yl)methanamine

C15H20N2 — CID 105485981

IUPAC(4-tert-butyl-7-methylquinolin-3-yl)methanamine
SMILESCc1ccc2c(C(C)(C)C)c(CN)cnc2c1
InChIInChI=1S/C15H20N2/c1-10-5-6-12-13(7-10)17-9-11(8-16)14(12)15(2,3)4/h5-7,9H,8,16H2,1-4H3
InChIKeyPQUJPHRCTFJFGV-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.30
Rot. Bonds1

About (4-tert-butyl-7-methylquinolin-3-yl)methanamine

(4-tert-butyl-7-methylquinolin-3-yl)methanamine (PubChem CID 105485981) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (4-tert-butyl-7-methylquinolin-3-yl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-7-methylquinolin-3-yl)methanamine
PubChem CID105485981
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(4-tert-butyl-7-methylquinolin-3-yl)methanamine
SMILESCc1ccc2c(C(C)(C)C)c(CN)cnc2c1
InChIInChI=1S/C15H20N2/c1-10-5-6-12-13(7-10)17-9-11(8-16)14(12)15(2,3)4/h5-7,9H,8,16H2,1-4H3
InChIKeyPQUJPHRCTFJFGV-UHFFFAOYSA-N
XLogP3.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-7-methylquinolin-3-amine
CID 105468035
4-tert-butyl-3-fluoro-7-methylquinoline
CID 105471465
9-tert-butyl-3,6-dimethylacridine
CID 159242363
(2-chloro-7-methylquinolin-4-yl)methanamine
CID 115024953
4-chloro-3-(2-chloroethyl)-6-methylquinoline
CID 817864
9-tert-butyl-3,4,6-trimethylacridine
CID 160660304
4-tert-butyl-6-methylquinoline-3-carbonitrile
CID 105482297
2-tert-butyl-6-methylquinoxaline;propane
CID 142320460
N-ethyl-7-methylquinolin-4-amine
CID 89060504
3-fluoro-8-methylbenzo[f][1,7]naphthyridine
CID 141377178
[5-(aminomethyl)-3,4-ditert-butyl-2-pyridinyl]-carboxycarbamic acid
CID 66779828
7-methyl-N-propylquinolin-4-amine
CID 71072403

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-7-methylquinolin-3-yl)methanamine?
The IUPAC name of (4-tert-butyl-7-methylquinolin-3-yl)methanamine (CID 105485981) is (4-tert-butyl-7-methylquinolin-3-yl)methanamine.
What is the SMILES notation for (4-tert-butyl-7-methylquinolin-3-yl)methanamine?
The canonical SMILES for (4-tert-butyl-7-methylquinolin-3-yl)methanamine is Cc1ccc2c(C(C)(C)C)c(CN)cnc2c1.
What is the InChIKey of (4-tert-butyl-7-methylquinolin-3-yl)methanamine?
The InChIKey is PQUJPHRCTFJFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10-5-6-12-13(7-10)17-9-11(8-16)14(12)15(2,3)4/h5-7,9H,8,16H2,1-4H3.
What are the key properties of (4-tert-butyl-7-methylquinolin-3-yl)methanamine?
(4-tert-butyl-7-methylquinolin-3-yl)methanamine has a molecular weight of 228.34 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-7-methylquinolin-3-yl)methanamine is sourced from PubChem (CID 105485981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).