6-[2-(3,3-dimethylbut-1-ynyl)phenyl]quinolin-2-amine

C21H20N2 — CID 53346493

IUPAC6-[2-(3,3-dimethylbut-1-ynyl)phenyl]quinolin-2-amine
SMILESCC(C)(C)C#Cc1ccccc1-c1ccc2nc(N)ccc2c1
InChIInChI=1S/C21H20N2/c1-21(2,3)13-12-15-6-4-5-7-18(15)16-8-10-19-17(14-16)9-11-20(22)23-19/h4-11,14H,1-3H3,(H2,22,23)
InChIKeyIFUYBWIZKMAADM-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.88
Rot. Bonds1

About 6-[2-(3,3-dimethylbut-1-ynyl)phenyl]quinolin-2-amine

6-[2-(3,3-dimethylbut-1-ynyl)phenyl]quinolin-2-amine (PubChem CID 53346493) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 6-[2-(3,3-dimethylbut-1-ynyl)phenyl]quinolin-2-amine.

Molecular Properties

Compound Name6-[2-(3,3-dimethylbut-1-ynyl)phenyl]quinolin-2-amine
PubChem CID53346493
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name6-[2-(3,3-dimethylbut-1-ynyl)phenyl]quinolin-2-amine
SMILESCC(C)(C)C#Cc1ccccc1-c1ccc2nc(N)ccc2c1
InChIInChI=1S/C21H20N2/c1-21(2,3)13-12-15-6-4-5-7-18(15)16-8-10-19-17(14-16)9-11-20(22)23-19/h4-11,14H,1-3H3,(H2,22,23)
InChIKeyIFUYBWIZKMAADM-UHFFFAOYSA-N
XLogP4.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-Aminoquinoline
CID 11379
N~2~-(3,4-dimethylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2975866
5-Methyl-6-phenylquinazoline-2,4-diamine
CID 25271556
Benzo[f]quinazoline-1,3-diamine
CID 456184
4-Methylquinolin-2-amine
CID 231935
8-Methyl-2-(2-methylphenyl)quinoline
CID 616095
6-Aminophenanthridine
CID 160547
7-Ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine
CID 711946
N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine
CID 720610
3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide
CID 53236891
7-[[[3-[(Dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-Amine
CID 91971387
5-[[3-(Aminomethyl)phenyl]methyl]-3-Pentyl-Quinolin-2-Amine
CID 121231447

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,3-dimethylbut-1-ynyl)phenyl]quinolin-2-amine?
The IUPAC name of 6-[2-(3,3-dimethylbut-1-ynyl)phenyl]quinolin-2-amine (CID 53346493) is 6-[2-(3,3-dimethylbut-1-ynyl)phenyl]quinolin-2-amine.
What is the SMILES notation for 6-[2-(3,3-dimethylbut-1-ynyl)phenyl]quinolin-2-amine?
The canonical SMILES for 6-[2-(3,3-dimethylbut-1-ynyl)phenyl]quinolin-2-amine is CC(C)(C)C#Cc1ccccc1-c1ccc2nc(N)ccc2c1.
What is the InChIKey of 6-[2-(3,3-dimethylbut-1-ynyl)phenyl]quinolin-2-amine?
The InChIKey is IFUYBWIZKMAADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-21(2,3)13-12-15-6-4-5-7-18(15)16-8-10-19-17(14-16)9-11-20(22)23-19/h4-11,14H,1-3H3,(H2,22,23).
What are the key properties of 6-[2-(3,3-dimethylbut-1-ynyl)phenyl]quinolin-2-amine?
6-[2-(3,3-dimethylbut-1-ynyl)phenyl]quinolin-2-amine has a molecular weight of 300.41 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,3-dimethylbut-1-ynyl)phenyl]quinolin-2-amine is sourced from PubChem (CID 53346493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).