(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine

C12H18N2 — CID 57265971

IUPAC(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine
SMILESC[C@@H]1CC(C)(C)Nc2cc(N)ccc21
InChIInChI=1S/C12H18N2/c1-8-7-12(2,3)14-11-6-9(13)4-5-10(8)11/h4-6,8,14H,7,13H2,1-3H3/t8-/m1/s1
InChIKeyWGOKUZDQNGNKLX-MRVPVSSYSA-N
MW190.29 g/mol
LogP2.97
Rot. Bonds

About (4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine

(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine (PubChem CID 57265971) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine.

Molecular Properties

Compound Name(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine
PubChem CID57265971
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine
SMILESC[C@@H]1CC(C)(C)Nc2cc(N)ccc21
InChIInChI=1S/C12H18N2/c1-8-7-12(2,3)14-11-6-9(13)4-5-10(8)11/h4-6,8,14H,7,13H2,1-3H3/t8-/m1/s1
InChIKeyWGOKUZDQNGNKLX-MRVPVSSYSA-N
XLogP2.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
CID 97297931
2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline
CID 171819555
2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline
CID 71367324
2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-ol
CID 59639100
(4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
CID 7823786
2,2,4-trimethyl-3,4-dihydro-1H-quinoline-6-carbaldehyde
CID 18937828
3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-7-amine
CID 84618446
(4S)-2,2,4-trimethyl-8-propan-2-yl-3,4-dihydro-1H-quinoline
CID 99963884
2,2,4-trimethyl-6-(naphthalen-1-ylmethoxy)-3,4-dihydro-1H-quinoline
CID 4596738
2,2-dimethyl-4-propan-2-yl-1,3-dihydroquinoxalin-6-amine
CID 115096246
(E)-3-(dimethylamino)-1-[(4R)-2,2,4,7-tetramethyl-3,4-dihydro-1H-quinolin-6-yl]prop-2-en-1-one
CID 125461524
1-(2-amino-4,5-dihydroimidazol-1-yl)-3-(2,2,4-trimethyl-3,4-dihydro-1H-quinolin-6-yl)propan-2-one
CID 18343355

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine?
The IUPAC name of (4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine (CID 57265971) is (4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine.
What is the SMILES notation for (4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine?
The canonical SMILES for (4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine is C[C@@H]1CC(C)(C)Nc2cc(N)ccc21.
What is the InChIKey of (4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine?
The InChIKey is WGOKUZDQNGNKLX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8-7-12(2,3)14-11-6-9(13)4-5-10(8)11/h4-6,8,14H,7,13H2,1-3H3/t8-/m1/s1.
What are the key properties of (4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine?
(4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine has a molecular weight of 190.29 g/mol, XLogP of 2.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-7-amine is sourced from PubChem (CID 57265971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).