3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine

C16H22N2 — CID 63229243

IUPAC3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine
SMILESCc1cc2ccccc2nc1CC(N)C(C)(C)C
InChIInChI=1S/C16H22N2/c1-11-9-12-7-5-6-8-13(12)18-14(11)10-15(17)16(2,3)4/h5-9,15H,10,17H2,1-4H3
InChIKeyVTXZIDABIIDXCM-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.46
Rot. Bonds2

About 3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine

3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine (PubChem CID 63229243) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine
PubChem CID63229243
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine
SMILESCc1cc2ccccc2nc1CC(N)C(C)(C)C
InChIInChI=1S/C16H22N2/c1-11-9-12-7-5-6-8-13(12)18-14(11)10-15(17)16(2,3)4/h5-9,15H,10,17H2,1-4H3
InChIKeyVTXZIDABIIDXCM-UHFFFAOYSA-N
XLogP3.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloropropyl)-3-methylquinoline
CID 63228864
1-(3-methylquinolin-2-yl)propan-2-ol
CID 63229408
2-(2-chloro-2-cyclopropylethyl)-3-methylquinoline
CID 63352781
2-(3-methylquinolin-2-yl)ethanol
CID 154179956
1-methoxy-N-methyl-3-(3-methylquinolin-2-yl)propan-2-amine
CID 63229318
2-(3-methylquinolin-2-yl)acetonitrile
CID 55167268
2-butyl-3-methylquinoline
CID 519104
4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol
CID 106350873
1-N-(3-methylquinolin-2-yl)butane-1,2-diamine
CID 63730578
3-ethyl-1-N-(3-methylquinolin-2-yl)pentane-1,2-diamine
CID 106287148
3-(3-methylquinolin-2-yl)pentan-2-amine
CID 63229404
2,2-dimethyl-1,3-bis(2-methylquinolin-3-yl)propane-1,3-diamine
CID 163409701

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine (CID 63229243) is 3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine is Cc1cc2ccccc2nc1CC(N)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine?
The InChIKey is VTXZIDABIIDXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11-9-12-7-5-6-8-13(12)18-14(11)10-15(17)16(2,3)4/h5-9,15H,10,17H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine?
3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine has a molecular weight of 242.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-methylquinolin-2-yl)butan-2-amine is sourced from PubChem (CID 63229243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).