N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine

C16H21N3O — CID 106543443

IUPACN-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine
SMILESCOc1ccc2ccnc(N(C)CC3CC(N)C3)c2c1
InChIInChI=1S/C16H21N3O/c1-19(10-11-7-13(17)8-11)16-15-9-14(20-2)4-3-12(15)5-6-18-16/h3-6,9,11,13H,7-8,10,17H2,1-2H3
InChIKeyGLTHURCXKIOYEK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.42
Rot. Bonds4

About N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine

N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine (PubChem CID 106543443) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine
PubChem CID106543443
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine
SMILESCOc1ccc2ccnc(N(C)CC3CC(N)C3)c2c1
InChIInChI=1S/C16H21N3O/c1-19(10-11-7-13(17)8-11)16-15-9-14(20-2)4-3-12(15)5-6-18-16/h3-6,9,11,13H,7-8,10,17H2,1-2H3
InChIKeyGLTHURCXKIOYEK-UHFFFAOYSA-N
XLogP2.42
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine
CID 116995308
N-(5-bromopentyl)-7-methoxy-N-methylisoquinolin-1-amine
CID 107205211
1-N-(7-methoxyisoquinolin-1-yl)-1-N,4-dimethylpentane-1,3-diamine
CID 106541030
N'-(7-methoxyisoquinolin-1-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 106542308
N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline
CID 115213906
N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106542337
8-(7-methoxyisoquinolin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 106540422
ethyl 3-[(7-methoxyisoquinolin-1-yl)-methylamino]propanoate
CID 106541958
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
2-[cyclopropylmethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106535979
3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine
CID 106536587
N-(azetidin-3-yl)-7-methoxy-N-propylisoquinolin-1-amine
CID 106540822

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine (CID 106543443) is N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine is COc1ccc2ccnc(N(C)CC3CC(N)C3)c2c1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine?
The InChIKey is GLTHURCXKIOYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(10-11-7-13(17)8-11)16-15-9-14(20-2)4-3-12(15)5-6-18-16/h3-6,9,11,13H,7-8,10,17H2,1-2H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine?
N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-7-methoxy-N-methylisoquinolin-1-amine is sourced from PubChem (CID 106543443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).