N-[(2-tert-butyl-7,8-dimethylquinolin-4-yl)methyl]-2-methylpropan-1-amine

C20H30N2 — CID 82448482

IUPACN-[(2-tert-butyl-7,8-dimethylquinolin-4-yl)methyl]-2-methylpropan-1-amine
SMILESCc1ccc2c(CNCC(C)C)cc(C(C)(C)C)nc2c1C
InChIInChI=1S/C20H30N2/c1-13(2)11-21-12-16-10-18(20(5,6)7)22-19-15(4)14(3)8-9-17(16)19/h8-10,13,21H,11-12H2,1-7H3
InChIKeySGAAQCCIQAEOCL-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.89
Rot. Bonds4

About N-[(2-tert-butyl-7,8-dimethylquinolin-4-yl)methyl]-2-methylpropan-1-amine

N-[(2-tert-butyl-7,8-dimethylquinolin-4-yl)methyl]-2-methylpropan-1-amine (PubChem CID 82448482) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-[(2-tert-butyl-7,8-dimethylquinolin-4-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-7,8-dimethylquinolin-4-yl)methyl]-2-methylpropan-1-amine
PubChem CID82448482
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC NameN-[(2-tert-butyl-7,8-dimethylquinolin-4-yl)methyl]-2-methylpropan-1-amine
SMILESCc1ccc2c(CNCC(C)C)cc(C(C)(C)C)nc2c1C
InChIInChI=1S/C20H30N2/c1-13(2)11-21-12-16-10-18(20(5,6)7)22-19-15(4)14(3)8-9-17(16)19/h8-10,13,21H,11-12H2,1-7H3
InChIKeySGAAQCCIQAEOCL-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-tert-butyl-7,8-dimethylquinolin-4-yl)acetonitrile
CID 82448490
2-tert-butyl-7,8-dimethylquinoline-4-carbohydrazide
CID 82448500
N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]ethanamine
CID 82448981
1-(2-tert-butyl-6,8-dimethylquinolin-4-yl)-N-methylmethanamine
CID 82448573
6-tert-butyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 113381451
2-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-1-amine
CID 143689157
6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82443565
N-[(2-tert-butyl-6,7-dimethylquinolin-4-yl)methyl]butan-1-amine
CID 82448776
N-[(2-tert-butyl-6-methoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 113381553
N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine
CID 82448987
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
N-[(6-ethyl-2-methylquinolin-4-yl)methyl]-2-methylpropan-1-amine
CID 82448230

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-7,8-dimethylquinolin-4-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-tert-butyl-7,8-dimethylquinolin-4-yl)methyl]-2-methylpropan-1-amine (CID 82448482) is N-[(2-tert-butyl-7,8-dimethylquinolin-4-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-tert-butyl-7,8-dimethylquinolin-4-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-tert-butyl-7,8-dimethylquinolin-4-yl)methyl]-2-methylpropan-1-amine is Cc1ccc2c(CNCC(C)C)cc(C(C)(C)C)nc2c1C.
What is the InChIKey of N-[(2-tert-butyl-7,8-dimethylquinolin-4-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is SGAAQCCIQAEOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-13(2)11-21-12-16-10-18(20(5,6)7)22-19-15(4)14(3)8-9-17(16)19/h8-10,13,21H,11-12H2,1-7H3.
What are the key properties of N-[(2-tert-butyl-7,8-dimethylquinolin-4-yl)methyl]-2-methylpropan-1-amine?
N-[(2-tert-butyl-7,8-dimethylquinolin-4-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 298.47 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-7,8-dimethylquinolin-4-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82448482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).