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

C17H26N2O — CID 106902048

IUPACN-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine
SMILESCN(CC1CNc2ccccc2C1)CC1CCCCO1
InChIInChI=1S/C17H26N2O/c1-19(13-16-7-4-5-9-20-16)12-14-10-15-6-2-3-8-17(15)18-11-14/h2-3,6,8,14,16,18H,4-5,7,9-13H2,1H3
InChIKeyHGOAMNHIHXSGDU-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.77
Rot. Bonds4

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

N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine (PubChem CID 106902048) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine
PubChem CID106902048
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine
SMILESCN(CC1CNc2ccccc2C1)CC1CCCCO1
InChIInChI=1S/C17H26N2O/c1-19(13-16-7-4-5-9-20-16)12-14-10-15-6-2-3-8-17(15)18-11-14/h2-3,6,8,14,16,18H,4-5,7,9-13H2,1H3
InChIKeyHGOAMNHIHXSGDU-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901978
N-methyl-N-[(2-methylphenyl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902024
N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949
N,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)cyclohexan-1-amine
CID 106902062
N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902030
N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902040
N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine
CID 106902297
N-methyl-1-(oxolan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine
CID 65262274
N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901965
N-methyl-N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinolin-3-amine
CID 63713437
2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine
CID 106902107

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine (CID 106902048) is N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine is CN(CC1CNc2ccccc2C1)CC1CCCCO1.
What is the InChIKey of N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine?
The InChIKey is HGOAMNHIHXSGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19(13-16-7-4-5-9-20-16)12-14-10-15-6-2-3-8-17(15)18-11-14/h2-3,6,8,14,16,18H,4-5,7,9-13H2,1H3.
What are the key properties of N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine?
N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine has a molecular weight of 274.41 g/mol, XLogP of 2.77, 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-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine is sourced from PubChem (CID 106902048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).