4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]methyl]pyridin-3-amine

C19H26N4 — CID 127267069

IUPAC4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]methyl]pyridin-3-amine
SMILESCC(C)(CNCc1ccncc1N)N1CCc2ccccc2C1
InChIInChI=1S/C19H26N4/c1-19(2,14-22-11-16-7-9-21-12-18(16)20)23-10-8-15-5-3-4-6-17(15)13-23/h3-7,9,12,22H,8,10-11,13-14,20H2,1-2H3
InChIKeyOCSBRCMNURMNHW-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.59
Rot. Bonds5

About 4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]methyl]pyridin-3-amine

4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]methyl]pyridin-3-amine (PubChem CID 127267069) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is 4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]methyl]pyridin-3-amine
PubChem CID127267069
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]methyl]pyridin-3-amine
SMILESCC(C)(CNCc1ccncc1N)N1CCc2ccccc2C1
InChIInChI=1S/C19H26N4/c1-19(2,14-22-11-16-7-9-21-12-18(16)20)23-10-8-15-5-3-4-6-17(15)13-23/h3-7,9,12,22H,8,10-11,13-14,20H2,1-2H3
InChIKeyOCSBRCMNURMNHW-UHFFFAOYSA-N
XLogP2.59
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]methyl]pyridin-3-amine?
The IUPAC name of 4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]methyl]pyridin-3-amine (CID 127267069) is 4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]methyl]pyridin-3-amine.
What is the SMILES notation for 4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]methyl]pyridin-3-amine?
The canonical SMILES for 4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]methyl]pyridin-3-amine is CC(C)(CNCc1ccncc1N)N1CCc2ccccc2C1.
What is the InChIKey of 4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]methyl]pyridin-3-amine?
The InChIKey is OCSBRCMNURMNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-19(2,14-22-11-16-7-9-21-12-18(16)20)23-10-8-15-5-3-4-6-17(15)13-23/h3-7,9,12,22H,8,10-11,13-14,20H2,1-2H3.
What are the key properties of 4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]methyl]pyridin-3-amine?
4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]methyl]pyridin-3-amine has a molecular weight of 310.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]amino]methyl]pyridin-3-amine is sourced from PubChem (CID 127267069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).