N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine

C16H25N3 — CID 81215098

IUPACN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine
SMILESCN1CCC(CN(C)c2ccc3c(c2)CCCN3)C1
InChIInChI=1S/C16H25N3/c1-18-9-7-13(11-18)12-19(2)15-5-6-16-14(10-15)4-3-8-17-16/h5-6,10,13,17H,3-4,7-9,11-12H2,1-2H3
InChIKeyDXFJIBSWXGWCLU-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.43
Rot. Bonds3

About N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine (PubChem CID 81215098) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine
PubChem CID81215098
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine
SMILESCN1CCC(CN(C)c2ccc3c(c2)CCCN3)C1
InChIInChI=1S/C16H25N3/c1-18-9-7-13(11-18)12-19(2)15-5-6-16-14(10-15)4-3-8-17-16/h5-6,10,13,17H,3-4,7-9,11-12H2,1-2H3
InChIKeyDXFJIBSWXGWCLU-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215036
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215409
6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075329
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine
CID 81214955
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215543
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 63234508
N-(2,2-dimethylpropyl)-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215158
N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215049
N-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinolin-7-amine
CID 81214759
N-cycloheptyl-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215282
N-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 115238608
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinolin-8-amine
CID 81214603

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine?
The IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine (CID 81215098) is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine?
The canonical SMILES for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine is CN1CCC(CN(C)c2ccc3c(c2)CCCN3)C1.
What is the InChIKey of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine?
The InChIKey is DXFJIBSWXGWCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-18-9-7-13(11-18)12-19(2)15-5-6-16-14(10-15)4-3-8-17-16/h5-6,10,13,17H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine?
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine has a molecular weight of 259.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine is sourced from PubChem (CID 81215098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).