N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine

C17H23N3O — CID 106128982

IUPACN-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine
SMILESCOc1cccc2c(NCC3CCC(N)CC3)nccc12
InChIInChI=1S/C17H23N3O/c1-21-16-4-2-3-15-14(16)9-10-19-17(15)20-11-12-5-7-13(18)8-6-12/h2-4,9-10,12-13H,5-8,11,18H2,1H3,(H,19,20)
InChIKeyGHHJNJAHBBBFDG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.17
Rot. Bonds4

About N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine

N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine (PubChem CID 106128982) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine
PubChem CID106128982
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine
SMILESCOc1cccc2c(NCC3CCC(N)CC3)nccc12
InChIInChI=1S/C17H23N3O/c1-21-16-4-2-3-15-14(16)9-10-19-17(15)20-11-12-5-7-13(18)8-6-12/h2-4,9-10,12-13H,5-8,11,18H2,1H3,(H,19,20)
InChIKeyGHHJNJAHBBBFDG-UHFFFAOYSA-N
XLogP3.17
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540945
5-methoxy-N-[(1-methylpiperidin-2-yl)methyl]isoquinolin-1-amine
CID 106538194
2-N-(5-methoxyisoquinolin-1-yl)cyclohexane-1,2-diamine
CID 106540400
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
N-(2,2-dimethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 107389937
5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine
CID 106540594
5-methoxy-N-pentylisoquinolin-1-amine
CID 106537272
N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
CID 106539065
N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 106537643
N-but-3-enyl-5-methoxyisoquinolin-1-amine
CID 106539509
1-N-(5-methoxyisoquinolin-1-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159175

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine (CID 106128982) is N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine is COc1cccc2c(NCC3CCC(N)CC3)nccc12.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine?
The InChIKey is GHHJNJAHBBBFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-21-16-4-2-3-15-14(16)9-10-19-17(15)20-11-12-5-7-13(18)8-6-12/h2-4,9-10,12-13H,5-8,11,18H2,1H3,(H,19,20).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine?
N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106128982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).