4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine

C14H19N3 — CID 106776781

IUPAC4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine
SMILESCNCc1cnc(NC(C)C)c2ccccc12
InChIInChI=1S/C14H19N3/c1-10(2)17-14-13-7-5-4-6-12(13)11(8-15-3)9-16-14/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyZITDOFZRFTYAHF-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.77
Rot. Bonds4

About 4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine

4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine (PubChem CID 106776781) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine
PubChem CID106776781
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine
SMILESCNCc1cnc(NC(C)C)c2ccccc12
InChIInChI=1S/C14H19N3/c1-10(2)17-14-13-7-5-4-6-12(13)11(8-15-3)9-16-14/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyZITDOFZRFTYAHF-UHFFFAOYSA-N
XLogP2.77
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylisoquinolin-4-yl)methanamine
CID 154939630
1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine
CID 106777249
N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
CID 106777324
N-(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]isoquinolin-1-amine
CID 106776846
N-(2-methoxypropyl)-4-[(propan-2-ylamino)methyl]isoquinolin-1-amine
CID 106777073
N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine
CID 106777424
N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine
CID 106775114
N-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine
CID 106774974
N-tert-butyl-4-(ethylaminomethyl)isoquinolin-1-amine
CID 106776820
2-(methylaminomethyl)-N-propan-2-ylquinolin-4-amine
CID 113378137
N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine
CID 106777271
1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine
CID 106774888

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine?
The IUPAC name of 4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine (CID 106776781) is 4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine.
What is the SMILES notation for 4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine?
The canonical SMILES for 4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine is CNCc1cnc(NC(C)C)c2ccccc12.
What is the InChIKey of 4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine?
The InChIKey is ZITDOFZRFTYAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)17-14-13-7-5-4-6-12(13)11(8-15-3)9-16-14/h4-7,9-10,15H,8H2,1-3H3,(H,16,17).
What are the key properties of 4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine?
4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine is sourced from PubChem (CID 106776781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).