N-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine

C16H21N3O — CID 106543616

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCC3(CCN)CC3)c2c1
InChIInChI=1S/C16H21N3O/c1-20-13-3-2-12-4-9-18-15(14(12)10-13)19-11-16(5-6-16)7-8-17/h2-4,9-10H,5-8,11,17H2,1H3,(H,18,19)
InChIKeyVLIDVCOAYRMBSZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.78
Rot. Bonds6

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine (PubChem CID 106543616) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine
PubChem CID106543616
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCC3(CCN)CC3)c2c1
InChIInChI=1S/C16H21N3O/c1-20-13-3-2-12-4-9-18-15(14(12)10-13)19-11-16(5-6-16)7-8-17/h2-4,9-10H,5-8,11,17H2,1H3,(H,18,19)
InChIKeyVLIDVCOAYRMBSZ-UHFFFAOYSA-N
XLogP2.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine
CID 106538593
1-[[1-(aminomethyl)cyclopropyl]methylamino]isoquinolin-7-ol
CID 106543493
7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine
CID 106539056
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491
3-ethyl-1-[(7-methoxyisoquinolin-1-yl)amino]pentan-2-ol
CID 106287689
7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine
CID 106329434
1-N-(7-methoxyisoquinolin-1-yl)pentane-1,4-diamine
CID 106127613
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 106537423
N-(2-chloroprop-2-enyl)-7-methoxyisoquinolin-1-amine
CID 106539492
N-(7-methoxyisoquinolin-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106537368

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine (CID 106543616) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine is COc1ccc2ccnc(NCC3(CCN)CC3)c2c1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine?
The InChIKey is VLIDVCOAYRMBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-13-3-2-12-4-9-18-15(14(12)10-13)19-11-16(5-6-16)7-8-17/h2-4,9-10H,5-8,11,17H2,1H3,(H,18,19).
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106543616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).