N-cyclohexyl-3-cyclopropyl-6,7-dimethoxyisoquinolin-1-amine

C20H26N2O2 — CID 53475103

IUPACN-cyclohexyl-3-cyclopropyl-6,7-dimethoxyisoquinolin-1-amine
SMILESCOc1cc2cc(C3CC3)nc(NC3CCCCC3)c2cc1OC
InChIInChI=1S/C20H26N2O2/c1-23-18-11-14-10-17(13-8-9-13)22-20(16(14)12-19(18)24-2)21-15-6-4-3-5-7-15/h10-13,15H,3-9H2,1-2H3,(H,21,22)
InChIKeyBKOSZIQTLZGWNR-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.87
Rot. Bonds5

About N-cyclohexyl-3-cyclopropyl-6,7-dimethoxyisoquinolin-1-amine

N-cyclohexyl-3-cyclopropyl-6,7-dimethoxyisoquinolin-1-amine (PubChem CID 53475103) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-cyclohexyl-3-cyclopropyl-6,7-dimethoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-cyclopropyl-6,7-dimethoxyisoquinolin-1-amine
PubChem CID53475103
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-cyclohexyl-3-cyclopropyl-6,7-dimethoxyisoquinolin-1-amine
SMILESCOc1cc2cc(C3CC3)nc(NC3CCCCC3)c2cc1OC
InChIInChI=1S/C20H26N2O2/c1-23-18-11-14-10-17(13-8-9-13)22-20(16(14)12-19(18)24-2)21-15-6-4-3-5-7-15/h10-13,15H,3-9H2,1-2H3,(H,21,22)
InChIKeyBKOSZIQTLZGWNR-UHFFFAOYSA-N
XLogP4.87
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-cyclopropylisoquinolin-1-amine
CID 53474775
4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine
CID 57342963
2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
CID 22692592
N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003381
1-cyclohexyl-6,7-dimethoxyisoquinoline
CID 70208603
2-N-cyclohexyl-4-N,6-N-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 59302702
4-N-cyclobutyl-2-N-(3,4-dimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 16657449
1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone
CID 71738547
2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine
CID 46901939
N-cyclopentyl-6,7-dimethoxyquinoxalin-2-amine
CID 22573167
2-N-cyclohexyl-4-N-[(2,3-dimethoxyphenyl)methyl]-6-N-[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 23900803
N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine
CID 115354929

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-cyclopropyl-6,7-dimethoxyisoquinolin-1-amine?
The IUPAC name of N-cyclohexyl-3-cyclopropyl-6,7-dimethoxyisoquinolin-1-amine (CID 53475103) is N-cyclohexyl-3-cyclopropyl-6,7-dimethoxyisoquinolin-1-amine.
What is the SMILES notation for N-cyclohexyl-3-cyclopropyl-6,7-dimethoxyisoquinolin-1-amine?
The canonical SMILES for N-cyclohexyl-3-cyclopropyl-6,7-dimethoxyisoquinolin-1-amine is COc1cc2cc(C3CC3)nc(NC3CCCCC3)c2cc1OC.
What is the InChIKey of N-cyclohexyl-3-cyclopropyl-6,7-dimethoxyisoquinolin-1-amine?
The InChIKey is BKOSZIQTLZGWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-23-18-11-14-10-17(13-8-9-13)22-20(16(14)12-19(18)24-2)21-15-6-4-3-5-7-15/h10-13,15H,3-9H2,1-2H3,(H,21,22).
What are the key properties of N-cyclohexyl-3-cyclopropyl-6,7-dimethoxyisoquinolin-1-amine?
N-cyclohexyl-3-cyclopropyl-6,7-dimethoxyisoquinolin-1-amine has a molecular weight of 326.44 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-cyclopropyl-6,7-dimethoxyisoquinolin-1-amine is sourced from PubChem (CID 53475103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).