5-methoxy-N-pentan-3-ylisoquinolin-1-amine

C15H20N2O — CID 106537189

IUPAC5-methoxy-N-pentan-3-ylisoquinolin-1-amine
SMILESCCC(CC)Nc1nccc2c(OC)cccc12
InChIInChI=1S/C15H20N2O/c1-4-11(5-2)17-15-13-7-6-8-14(18-3)12(13)9-10-16-15/h6-11H,4-5H2,1-3H3,(H,16,17)
InChIKeyMKTPUCGOWVMGOJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.84
Rot. Bonds5

About 5-methoxy-N-pentan-3-ylisoquinolin-1-amine

5-methoxy-N-pentan-3-ylisoquinolin-1-amine (PubChem CID 106537189) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-methoxy-N-pentan-3-ylisoquinolin-1-amine.

Molecular Properties

Compound Name5-methoxy-N-pentan-3-ylisoquinolin-1-amine
PubChem CID106537189
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-methoxy-N-pentan-3-ylisoquinolin-1-amine
SMILESCCC(CC)Nc1nccc2c(OC)cccc12
InChIInChI=1S/C15H20N2O/c1-4-11(5-2)17-15-13-7-6-8-14(18-3)12(13)9-10-16-15/h6-11H,4-5H2,1-3H3,(H,16,17)
InChIKeyMKTPUCGOWVMGOJ-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-chloro-3-methoxypropan-2-yl)-5-methoxyisoquinolin-1-amine
CID 114154936
N-heptan-2-yl-5-methoxyisoquinolin-1-amine
CID 106538014
5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine
CID 106538806
N-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine
CID 106542822
N-(2,2-dimethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 107389937
3-[(5-methoxyisoquinolin-1-yl)amino]butanamide
CID 106539785
5-methoxy-N-pentylisoquinolin-1-amine
CID 106537272
methyl 2-[(5-methoxyisoquinolin-1-yl)amino]-3-methylbutanoate
CID 106536071
N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 106537643
N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
3-methoxy-N-(1-methoxybutan-2-yl)pyridin-2-amine
CID 115923094
2-cyclopropyl-2-[(5-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106536125

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-pentan-3-ylisoquinolin-1-amine?
The IUPAC name of 5-methoxy-N-pentan-3-ylisoquinolin-1-amine (CID 106537189) is 5-methoxy-N-pentan-3-ylisoquinolin-1-amine.
What is the SMILES notation for 5-methoxy-N-pentan-3-ylisoquinolin-1-amine?
The canonical SMILES for 5-methoxy-N-pentan-3-ylisoquinolin-1-amine is CCC(CC)Nc1nccc2c(OC)cccc12.
What is the InChIKey of 5-methoxy-N-pentan-3-ylisoquinolin-1-amine?
The InChIKey is MKTPUCGOWVMGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-11(5-2)17-15-13-7-6-8-14(18-3)12(13)9-10-16-15/h6-11H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 5-methoxy-N-pentan-3-ylisoquinolin-1-amine?
5-methoxy-N-pentan-3-ylisoquinolin-1-amine has a molecular weight of 244.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-pentan-3-ylisoquinolin-1-amine is sourced from PubChem (CID 106537189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).