N-(oxolan-2-ylmethyl)isoquinolin-5-amine

C14H16N2O — CID 82834072

IUPACN-(oxolan-2-ylmethyl)isoquinolin-5-amine
SMILESc1cc(NCC2CCCO2)c2ccncc2c1
InChIInChI=1S/C14H16N2O/c1-3-11-9-15-7-6-13(11)14(5-1)16-10-12-4-2-8-17-12/h1,3,5-7,9,12,16H,2,4,8,10H2
InChIKeyKWEJYUPFNSPZJL-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.83
Rot. Bonds3

About N-(oxolan-2-ylmethyl)isoquinolin-5-amine

N-(oxolan-2-ylmethyl)isoquinolin-5-amine (PubChem CID 82834072) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)isoquinolin-5-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)isoquinolin-5-amine
PubChem CID82834072
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-(oxolan-2-ylmethyl)isoquinolin-5-amine
SMILESc1cc(NCC2CCCO2)c2ccncc2c1
InChIInChI=1S/C14H16N2O/c1-3-11-9-15-7-6-13(11)14(5-1)16-10-12-4-2-8-17-12/h1,3,5-7,9,12,16H,2,4,8,10H2
InChIKeyKWEJYUPFNSPZJL-UHFFFAOYSA-N
XLogP2.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(isoquinolin-5-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 62824788
1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115853007
1-isoquinolin-5-yl-3-(oxolan-2-yl)propan-1-amine
CID 115853074
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 43115525
3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine
CID 116784263
2-N,2-N-dimethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
CID 82834810
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 63961095
2-nitro-N-(oxolan-2-ylmethyl)pyridin-3-amine
CID 115585307
4-N-(2,3-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886962
N-(pyridin-3-ylmethyl)isoquinolin-5-amine
CID 43681304

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)isoquinolin-5-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)isoquinolin-5-amine (CID 82834072) is N-(oxolan-2-ylmethyl)isoquinolin-5-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)isoquinolin-5-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)isoquinolin-5-amine is c1cc(NCC2CCCO2)c2ccncc2c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)isoquinolin-5-amine?
The InChIKey is KWEJYUPFNSPZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-11-9-15-7-6-13(11)14(5-1)16-10-12-4-2-8-17-12/h1,3,5-7,9,12,16H,2,4,8,10H2.
What are the key properties of N-(oxolan-2-ylmethyl)isoquinolin-5-amine?
N-(oxolan-2-ylmethyl)isoquinolin-5-amine has a molecular weight of 228.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)isoquinolin-5-amine is sourced from PubChem (CID 82834072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).