N-heptan-2-yl-5-methoxyisoquinolin-1-amine

C17H24N2O — CID 106538014

IUPACN-heptan-2-yl-5-methoxyisoquinolin-1-amine
SMILESCCCCCC(C)Nc1nccc2c(OC)cccc12
InChIInChI=1S/C17H24N2O/c1-4-5-6-8-13(2)19-17-15-9-7-10-16(20-3)14(15)11-12-18-17/h7,9-13H,4-6,8H2,1-3H3,(H,18,19)
InChIKeyCZDNHXBCEKFFJP-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.62
Rot. Bonds7

About N-heptan-2-yl-5-methoxyisoquinolin-1-amine

N-heptan-2-yl-5-methoxyisoquinolin-1-amine (PubChem CID 106538014) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-heptan-2-yl-5-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-heptan-2-yl-5-methoxyisoquinolin-1-amine
PubChem CID106538014
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-heptan-2-yl-5-methoxyisoquinolin-1-amine
SMILESCCCCCC(C)Nc1nccc2c(OC)cccc12
InChIInChI=1S/C17H24N2O/c1-4-5-6-8-13(2)19-17-15-9-7-10-16(20-3)14(15)11-12-18-17/h7,9-13H,4-6,8H2,1-3H3,(H,18,19)
InChIKeyCZDNHXBCEKFFJP-UHFFFAOYSA-N
XLogP4.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloropentan-2-yl)-5-methoxyisoquinolin-1-amine
CID 106542822
5-methoxy-N-(4-methoxybutan-2-yl)isoquinolin-1-amine
CID 106538806
5-methoxy-N-pentylisoquinolin-1-amine
CID 106537272
5-methoxy-N-pentan-3-ylisoquinolin-1-amine
CID 106537189
3-[(5-methoxyisoquinolin-1-yl)amino]butanamide
CID 106539785
3-methoxy-N-pentan-2-ylpyridin-2-amine
CID 115923066
methyl 2-[(5-methoxyisoquinolin-1-yl)amino]-3-methylbutanoate
CID 106536071
N-(1-chloro-3-methoxypropan-2-yl)-5-methoxyisoquinolin-1-amine
CID 114154936
N-heptan-2-ylquinazolin-4-amine
CID 54950682
N-(2,2-dimethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 107389937
N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
5-bromo-N-(4-methoxybutan-2-yl)isoquinolin-1-amine
CID 106538805

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-5-methoxyisoquinolin-1-amine?
The IUPAC name of N-heptan-2-yl-5-methoxyisoquinolin-1-amine (CID 106538014) is N-heptan-2-yl-5-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-heptan-2-yl-5-methoxyisoquinolin-1-amine?
The canonical SMILES for N-heptan-2-yl-5-methoxyisoquinolin-1-amine is CCCCCC(C)Nc1nccc2c(OC)cccc12.
What is the InChIKey of N-heptan-2-yl-5-methoxyisoquinolin-1-amine?
The InChIKey is CZDNHXBCEKFFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-5-6-8-13(2)19-17-15-9-7-10-16(20-3)14(15)11-12-18-17/h7,9-13H,4-6,8H2,1-3H3,(H,18,19).
What are the key properties of N-heptan-2-yl-5-methoxyisoquinolin-1-amine?
N-heptan-2-yl-5-methoxyisoquinolin-1-amine has a molecular weight of 272.39 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-5-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106538014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).