N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine

C18H25N3 — CID 103936581

IUPACN-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine
SMILESCC(C)CN1CCC(Nc2cccc3ccncc23)CC1
InChIInChI=1S/C18H25N3/c1-14(2)13-21-10-7-16(8-11-21)20-18-5-3-4-15-6-9-19-12-17(15)18/h3-6,9,12,14,16,20H,7-8,10-11,13H2,1-2H3
InChIKeyZAAWKVVCSMIFOG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.77
Rot. Bonds4

About N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine

N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine (PubChem CID 103936581) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine
PubChem CID103936581
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine
SMILESCC(C)CN1CCC(Nc2cccc3ccncc23)CC1
InChIInChI=1S/C18H25N3/c1-14(2)13-21-10-7-16(8-11-21)20-18-5-3-4-15-6-9-19-12-17(15)18/h3-6,9,12,14,16,20H,7-8,10-11,13H2,1-2H3
InChIKeyZAAWKVVCSMIFOG-UHFFFAOYSA-N
XLogP3.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 71425512
N-(1-methylpiperidin-4-yl)isoquinolin-5-amine
CID 43681291
N-(2-ethylphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103930824
N-(1,5-dimethylpyrrolidin-3-yl)isoquinolin-8-amine
CID 81467572
N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103936271
N-[1-(pyrimidin-4-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 58024880
N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
CID 10245294
N-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine
CID 115929357
N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 11722582
N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 58024836
N-[2-(ethoxymethyl)phenyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931357
N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
CID 58024864

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine?
The IUPAC name of N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine (CID 103936581) is N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine.
What is the SMILES notation for N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine?
The canonical SMILES for N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine is CC(C)CN1CCC(Nc2cccc3ccncc23)CC1.
What is the InChIKey of N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine?
The InChIKey is ZAAWKVVCSMIFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(2)13-21-10-7-16(8-11-21)20-18-5-3-4-15-6-9-19-12-17(15)18/h3-6,9,12,14,16,20H,7-8,10-11,13H2,1-2H3.
What are the key properties of N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine?
N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine has a molecular weight of 283.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine is sourced from PubChem (CID 103936581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).