6-[1-(2-methylpropylamino)propan-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine

C21H34N4 — CID 88905590

IUPAC6-[1-(2-methylpropylamino)propan-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESCC(C)CNCC(C)c1cc(NC2CCNCC2)c2c(c1)=CCNC=2
InChIInChI=1S/C21H34N4/c1-15(2)12-24-13-16(3)18-10-17-4-7-23-14-20(17)21(11-18)25-19-5-8-22-9-6-19/h4,10-11,14-16,19,22-25H,5-9,12-13H2,1-3H3
InChIKeyDNDARJMSPHAJLP-UHFFFAOYSA-N
MW342.53 g/mol
LogP1.32
Rot. Bonds7

About 6-[1-(2-methylpropylamino)propan-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine

6-[1-(2-methylpropylamino)propan-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (PubChem CID 88905590) has the molecular formula C21H34N4 and a molecular weight of 342.53 g/mol. Its IUPAC name is 6-[1-(2-methylpropylamino)propan-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.

Molecular Properties

Compound Name6-[1-(2-methylpropylamino)propan-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
PubChem CID88905590
Molecular FormulaC21H34N4
Molecular Weight342.53 g/mol
Exact Mass342.28
IUPAC Name6-[1-(2-methylpropylamino)propan-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
SMILESCC(C)CNCC(C)c1cc(NC2CCNCC2)c2c(c1)=CCNC=2
InChIInChI=1S/C21H34N4/c1-15(2)12-24-13-16(3)18-10-17-4-7-23-14-20(17)21(11-18)25-19-5-8-22-9-6-19/h4,10-11,14-16,19,22-25H,5-9,12-13H2,1-3H3
InChIKeyDNDARJMSPHAJLP-UHFFFAOYSA-N
XLogP1.32
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-methylpropylamino)propan-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The IUPAC name of 6-[1-(2-methylpropylamino)propan-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine (CID 88905590) is 6-[1-(2-methylpropylamino)propan-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine.
What is the SMILES notation for 6-[1-(2-methylpropylamino)propan-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The canonical SMILES for 6-[1-(2-methylpropylamino)propan-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is CC(C)CNCC(C)c1cc(NC2CCNCC2)c2c(c1)=CCNC=2.
What is the InChIKey of 6-[1-(2-methylpropylamino)propan-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
The InChIKey is DNDARJMSPHAJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4/c1-15(2)12-24-13-16(3)18-10-17-4-7-23-14-20(17)21(11-18)25-19-5-8-22-9-6-19/h4,10-11,14-16,19,22-25H,5-9,12-13H2,1-3H3.
What are the key properties of 6-[1-(2-methylpropylamino)propan-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine?
6-[1-(2-methylpropylamino)propan-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine has a molecular weight of 342.53 g/mol, XLogP of 1.32, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-methylpropylamino)propan-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine is sourced from PubChem (CID 88905590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).