N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine

C17H26N2O — CID 63705707

IUPACN-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
SMILESCN(Cc1ccc2c(c1)CCCN2)CC1CCCOC1
InChIInChI=1S/C17H26N2O/c1-19(12-15-4-3-9-20-13-15)11-14-6-7-17-16(10-14)5-2-8-18-17/h6-7,10,15,18H,2-5,8-9,11-13H2,1H3
InChIKeyJTPUUHNQSJYCSX-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.90
Rot. Bonds4

About N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine

N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine (PubChem CID 63705707) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
PubChem CID63705707
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
SMILESCN(Cc1ccc2c(c1)CCCN2)CC1CCCOC1
InChIInChI=1S/C17H26N2O/c1-19(12-15-4-3-9-20-13-15)11-14-6-7-17-16(10-14)5-2-8-18-17/h6-7,10,15,18H,2-5,8-9,11-13H2,1H3
InChIKeyJTPUUHNQSJYCSX-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
CID 62861548
N-methyl-N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinolin-7-amine
CID 81214678
N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 63708062
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 63234508
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine
CID 63706482
6-(cyclobutylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779249
1-(3-chlorophenyl)-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
CID 61416936
N-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cyclopentanamine
CID 43541283
4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 63882050
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 102771142
N-methyl-N-[(2-methylphenyl)methyl]-1-(1,2,3,4-tetrahydroquinolin-6-yl)methanamine
CID 61411757
[4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol
CID 63711599

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine (CID 63705707) is N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine is CN(Cc1ccc2c(c1)CCCN2)CC1CCCOC1.
What is the InChIKey of N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine?
The InChIKey is JTPUUHNQSJYCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19(12-15-4-3-9-20-13-15)11-14-6-7-17-16(10-14)5-2-8-18-17/h6-7,10,15,18H,2-5,8-9,11-13H2,1H3.
What are the key properties of N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine?
N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine has a molecular weight of 274.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-3-yl)-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine is sourced from PubChem (CID 63705707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).