N-methyl-1-(1-methylisoquinolin-4-yl)methanamine

C12H14N2 — CID 154939630

IUPACN-methyl-1-(1-methylisoquinolin-4-yl)methanamine
SMILESCNCc1cnc(C)c2ccccc12
InChIInChI=1S/C12H14N2/c1-9-11-5-3-4-6-12(11)10(7-13-2)8-14-9/h3-6,8,13H,7H2,1-2H3
InChIKeyQMZXZUGFPGFFQD-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.26
Rot. Bonds2

About N-methyl-1-(1-methylisoquinolin-4-yl)methanamine

N-methyl-1-(1-methylisoquinolin-4-yl)methanamine (PubChem CID 154939630) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is N-methyl-1-(1-methylisoquinolin-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylisoquinolin-4-yl)methanamine
PubChem CID154939630
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC NameN-methyl-1-(1-methylisoquinolin-4-yl)methanamine
SMILESCNCc1cnc(C)c2ccccc12
InChIInChI=1S/C12H14N2/c1-9-11-5-3-4-6-12(11)10(7-13-2)8-14-9/h3-6,8,13H,7H2,1-2H3
InChIKeyQMZXZUGFPGFFQD-UHFFFAOYSA-N
XLogP2.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine
CID 106777249
(1-methylisoquinolin-4-yl)methanamine
CID 105435219
4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine
CID 106776781
1-[1-(4-chloro-3-methylpyrazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine
CID 106777182
1-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine
CID 106777158
N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
CID 106777324
N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine
CID 106775114
N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine
CID 106777424
1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine
CID 106774888
N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine
CID 106775669
N-(cyclopropylmethyl)-N-ethyl-4-(methylaminomethyl)isoquinolin-1-amine
CID 106776241
N-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine
CID 106774974

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylisoquinolin-4-yl)methanamine?
The IUPAC name of N-methyl-1-(1-methylisoquinolin-4-yl)methanamine (CID 154939630) is N-methyl-1-(1-methylisoquinolin-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylisoquinolin-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylisoquinolin-4-yl)methanamine is CNCc1cnc(C)c2ccccc12.
What is the InChIKey of N-methyl-1-(1-methylisoquinolin-4-yl)methanamine?
The InChIKey is QMZXZUGFPGFFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-11-5-3-4-6-12(11)10(7-13-2)8-14-9/h3-6,8,13H,7H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylisoquinolin-4-yl)methanamine?
N-methyl-1-(1-methylisoquinolin-4-yl)methanamine has a molecular weight of 186.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylisoquinolin-4-yl)methanamine is sourced from PubChem (CID 154939630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).