1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine

C19H32N2 — CID 125047281

IUPAC1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine
SMILESCCCCN1c2cc(C)c(CNC)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C19H32N2/c1-7-8-9-21-18-10-14(2)16(13-20-6)11-17(18)15(3)12-19(21,4)5/h10-11,15,20H,7-9,12-13H2,1-6H3/t15-/m1/s1
InChIKeyUJYRDZYXQBBWRU-OAHLLOKOSA-N
MW288.48 g/mol
LogP4.61
Rot. Bonds5

About 1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine

1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine (PubChem CID 125047281) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine
PubChem CID125047281
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine
SMILESCCCCN1c2cc(C)c(CNC)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C19H32N2/c1-7-8-9-21-18-10-14(2)16(13-20-6)11-17(18)15(3)12-19(21,4)5/h10-11,15,20H,7-9,12-13H2,1-6H3/t15-/m1/s1
InChIKeyUJYRDZYXQBBWRU-OAHLLOKOSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine (CID 125047281) is 1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine is CCCCN1c2cc(C)c(CNC)cc2[C@H](C)CC1(C)C.
What is the InChIKey of 1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine?
The InChIKey is UJYRDZYXQBBWRU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H32N2/c1-7-8-9-21-18-10-14(2)16(13-20-6)11-17(18)15(3)12-19(21,4)5/h10-11,15,20H,7-9,12-13H2,1-6H3/t15-/m1/s1.
What are the key properties of 1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine?
1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine has a molecular weight of 288.48 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-1-butyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-methylmethanamine is sourced from PubChem (CID 125047281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).