N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine

C17H23N3 — CID 43681268

IUPACN-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine
SMILESCC(Nc1cccc2cnccc12)C1CCCN(C)C1
InChIInChI=1S/C17H23N3/c1-13(15-6-4-10-20(2)12-15)19-17-7-3-5-14-11-18-9-8-16(14)17/h3,5,7-9,11,13,15,19H,4,6,10,12H2,1-2H3
InChIKeyUXSLOFGAXFCBGD-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.38
Rot. Bonds3

About N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine

N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine (PubChem CID 43681268) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine
PubChem CID43681268
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine
SMILESCC(Nc1cccc2cnccc12)C1CCCN(C)C1
InChIInChI=1S/C17H23N3/c1-13(15-6-4-10-20(2)12-15)19-17-7-3-5-14-11-18-9-8-16(14)17/h3,5,7-9,11,13,15,19H,4,6,10,12H2,1-2H3
InChIKeyUXSLOFGAXFCBGD-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpiperidin-4-yl)isoquinolin-5-amine
CID 43681291
3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 113368981
N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43307588
2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307860
N-[1-(1-methylpiperidin-4-yl)ethyl]naphthalen-1-amine
CID 43307464
N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 71425512
N-[(2R)-butan-2-yl]isoquinolin-5-amine
CID 93261822
2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43750067
5-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]quinolin-8-amine
CID 60927567
4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine
CID 63329410
N-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine
CID 115929357
methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate
CID 43308775

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine?
The IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine (CID 43681268) is N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine.
What is the SMILES notation for N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine?
The canonical SMILES for N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine is CC(Nc1cccc2cnccc12)C1CCCN(C)C1.
What is the InChIKey of N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine?
The InChIKey is UXSLOFGAXFCBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13(15-6-4-10-20(2)12-15)19-17-7-3-5-14-11-18-9-8-16(14)17/h3,5,7-9,11,13,15,19H,4,6,10,12H2,1-2H3.
What are the key properties of N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine?
N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine has a molecular weight of 269.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine is sourced from PubChem (CID 43681268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).