N-cyclopentyl-1-ethoxyisoquinolin-5-amine

C16H20N2O — CID 82572606

IUPACN-cyclopentyl-1-ethoxyisoquinolin-5-amine
SMILESCCOc1nccc2c(NC3CCCC3)cccc12
InChIInChI=1S/C16H20N2O/c1-2-19-16-14-8-5-9-15(13(14)10-11-17-16)18-12-6-3-4-7-12/h5,8-12,18H,2-4,6-7H2,1H3
InChIKeyAAHKYEIXAWCQPS-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.99
Rot. Bonds4

About N-cyclopentyl-1-ethoxyisoquinolin-5-amine

N-cyclopentyl-1-ethoxyisoquinolin-5-amine (PubChem CID 82572606) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-cyclopentyl-1-ethoxyisoquinolin-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-ethoxyisoquinolin-5-amine
PubChem CID82572606
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-cyclopentyl-1-ethoxyisoquinolin-5-amine
SMILESCCOc1nccc2c(NC3CCCC3)cccc12
InChIInChI=1S/C16H20N2O/c1-2-19-16-14-8-5-9-15(13(14)10-11-17-16)18-12-6-3-4-7-12/h5,8-12,18H,2-4,6-7H2,1H3
InChIKeyAAHKYEIXAWCQPS-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-N-phenylisoquinolin-5-amine
CID 82572609
2-ethoxy-N-(thian-4-yl)pyridin-3-amine
CID 43706527
N-cyclopentyl-2-methoxypyridin-3-amine
CID 43721756
N-methyl-1-piperidin-4-yloxyisoquinolin-5-amine
CID 82572626
3-chloro-N-cyclopentyl-2-methoxyaniline
CID 115884195
N-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine
CID 82572627
N-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine
CID 64734172
3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine
CID 79462625
4-(cyclohexylamino)quinolin-8-ol
CID 22417942
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-ethoxyisoquinolin-5-amine?
The IUPAC name of N-cyclopentyl-1-ethoxyisoquinolin-5-amine (CID 82572606) is N-cyclopentyl-1-ethoxyisoquinolin-5-amine.
What is the SMILES notation for N-cyclopentyl-1-ethoxyisoquinolin-5-amine?
The canonical SMILES for N-cyclopentyl-1-ethoxyisoquinolin-5-amine is CCOc1nccc2c(NC3CCCC3)cccc12.
What is the InChIKey of N-cyclopentyl-1-ethoxyisoquinolin-5-amine?
The InChIKey is AAHKYEIXAWCQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-19-16-14-8-5-9-15(13(14)10-11-17-16)18-12-6-3-4-7-12/h5,8-12,18H,2-4,6-7H2,1H3.
What are the key properties of N-cyclopentyl-1-ethoxyisoquinolin-5-amine?
N-cyclopentyl-1-ethoxyisoquinolin-5-amine has a molecular weight of 256.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-ethoxyisoquinolin-5-amine is sourced from PubChem (CID 82572606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).