N-[1-(4-methylpentyl)piperidin-3-yl]isoquinolin-5-amine

C20H29N3 — CID 21098444

IUPACN-[1-(4-methylpentyl)piperidin-3-yl]isoquinolin-5-amine
SMILESCC(C)CCCN1CCCC(Nc2cccc3cnccc23)C1
InChIInChI=1S/C20H29N3/c1-16(2)6-4-12-23-13-5-8-18(15-23)22-20-9-3-7-17-14-21-11-10-19(17)20/h3,7,9-11,14,16,18,22H,4-6,8,12-13,15H2,1-2H3
InChIKeyDKNGAAJGNHSWTH-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.55
Rot. Bonds6

About N-[1-(4-methylpentyl)piperidin-3-yl]isoquinolin-5-amine

N-[1-(4-methylpentyl)piperidin-3-yl]isoquinolin-5-amine (PubChem CID 21098444) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[1-(4-methylpentyl)piperidin-3-yl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[1-(4-methylpentyl)piperidin-3-yl]isoquinolin-5-amine
PubChem CID21098444
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC NameN-[1-(4-methylpentyl)piperidin-3-yl]isoquinolin-5-amine
SMILESCC(C)CCCN1CCCC(Nc2cccc3cnccc23)C1
InChIInChI=1S/C20H29N3/c1-16(2)6-4-12-23-13-5-8-18(15-23)22-20-9-3-7-17-14-21-11-10-19(17)20/h3,7,9-11,14,16,18,22H,4-6,8,12-13,15H2,1-2H3
InChIKeyDKNGAAJGNHSWTH-UHFFFAOYSA-N
XLogP4.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpentyl)piperidin-3-yl]isoquinolin-5-amine?
The IUPAC name of N-[1-(4-methylpentyl)piperidin-3-yl]isoquinolin-5-amine (CID 21098444) is N-[1-(4-methylpentyl)piperidin-3-yl]isoquinolin-5-amine.
What is the SMILES notation for N-[1-(4-methylpentyl)piperidin-3-yl]isoquinolin-5-amine?
The canonical SMILES for N-[1-(4-methylpentyl)piperidin-3-yl]isoquinolin-5-amine is CC(C)CCCN1CCCC(Nc2cccc3cnccc23)C1.
What is the InChIKey of N-[1-(4-methylpentyl)piperidin-3-yl]isoquinolin-5-amine?
The InChIKey is DKNGAAJGNHSWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1-16(2)6-4-12-23-13-5-8-18(15-23)22-20-9-3-7-17-14-21-11-10-19(17)20/h3,7,9-11,14,16,18,22H,4-6,8,12-13,15H2,1-2H3.
What are the key properties of N-[1-(4-methylpentyl)piperidin-3-yl]isoquinolin-5-amine?
N-[1-(4-methylpentyl)piperidin-3-yl]isoquinolin-5-amine has a molecular weight of 311.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpentyl)piperidin-3-yl]isoquinolin-5-amine is sourced from PubChem (CID 21098444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).