N-propyl-2-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine

C17H23N3 — CID 83216084

IUPACN-propyl-2-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCCNC1CCCc2cn(Cc3ccncc3)cc21
InChIInChI=1S/C17H23N3/c1-2-8-19-17-5-3-4-15-12-20(13-16(15)17)11-14-6-9-18-10-7-14/h6-7,9-10,12-13,17,19H,2-5,8,11H2,1H3
InChIKeyJHPZZRCHFXDPFH-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.31
Rot. Bonds5

About N-propyl-2-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine

N-propyl-2-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83216084) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-propyl-2-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound NameN-propyl-2-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83216084
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-propyl-2-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCCNC1CCCc2cn(Cc3ccncc3)cc21
InChIInChI=1S/C17H23N3/c1-2-8-19-17-5-3-4-15-12-20(13-16(15)17)11-14-6-9-18-10-7-14/h6-7,9-10,12-13,17,19H,2-5,8,11H2,1H3
InChIKeyJHPZZRCHFXDPFH-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of N-propyl-2-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine (CID 83216084) is N-propyl-2-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for N-propyl-2-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for N-propyl-2-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine is CCCNC1CCCc2cn(Cc3ccncc3)cc21.
What is the InChIKey of N-propyl-2-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is JHPZZRCHFXDPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-8-19-17-5-3-4-15-12-20(13-16(15)17)11-14-6-9-18-10-7-14/h6-7,9-10,12-13,17,19H,2-5,8,11H2,1H3.
What are the key properties of N-propyl-2-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
N-propyl-2-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83216084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).