2,2,4-trimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-amine

C17H26N2O — CID 171819663

IUPAC2,2,4-trimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-amine
SMILESCC1CC(C)(C)Nc2ccc(NCC3CCCO3)cc21
InChIInChI=1S/C17H26N2O/c1-12-10-17(2,3)19-16-7-6-13(9-15(12)16)18-11-14-5-4-8-20-14/h6-7,9,12,14,18-19H,4-5,8,10-11H2,1-3H3
InChIKeyASOKQGWOAHBSNJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.98
Rot. Bonds3

About 2,2,4-trimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-amine

2,2,4-trimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-amine (PubChem CID 171819663) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2,2,4-trimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-amine.

Molecular Properties

Compound Name2,2,4-trimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-amine
PubChem CID171819663
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2,2,4-trimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-amine
SMILESCC1CC(C)(C)Nc2ccc(NCC3CCCO3)cc21
InChIInChI=1S/C17H26N2O/c1-12-10-17(2,3)19-16-7-6-13(9-15(12)16)18-11-14-5-4-8-20-14/h6-7,9,12,14,18-19H,4-5,8,10-11H2,1-3H3
InChIKeyASOKQGWOAHBSNJ-UHFFFAOYSA-N
XLogP3.98
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,4-trimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(oxolan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 82835738
4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine
CID 57243340
4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 43115523
2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 55232740
1-[2-amino-5-(oxolan-2-ylmethylamino)phenyl]ethanone
CID 104612228
4-bromo-3-methoxy-N-(oxolan-2-ylmethyl)aniline
CID 82858458
3-bromo-N-(oxolan-2-ylmethyl)aniline
CID 43179930
[4-(oxolan-2-ylmethylamino)phenyl]methanol
CID 83962258
3-methyl-N-(oxan-2-ylmethyl)aniline
CID 43403452
N-[4-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82833910
4-chloro-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)aniline
CID 43082564
methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate
CID 82835955

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-amine?
The IUPAC name of 2,2,4-trimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-amine (CID 171819663) is 2,2,4-trimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-amine.
What is the SMILES notation for 2,2,4-trimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-amine?
The canonical SMILES for 2,2,4-trimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-amine is CC1CC(C)(C)Nc2ccc(NCC3CCCO3)cc21.
What is the InChIKey of 2,2,4-trimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-amine?
The InChIKey is ASOKQGWOAHBSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-10-17(2,3)19-16-7-6-13(9-15(12)16)18-11-14-5-4-8-20-14/h6-7,9,12,14,18-19H,4-5,8,10-11H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-amine?
2,2,4-trimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-amine has a molecular weight of 274.41 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinolin-6-amine is sourced from PubChem (CID 171819663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).