[3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine

C14H21N3 — CID 55142370

IUPAC[3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CCC(CN)(N2Cc3ccccc3C2)C1
InChIInChI=1S/C14H21N3/c1-16-7-6-14(10-15,11-16)17-8-12-4-2-3-5-13(12)9-17/h2-5H,6-11,15H2,1H3
InChIKeyPZKBHHSFSBOXNP-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.04
Rot. Bonds2

About [3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine

[3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 55142370) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is [3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID55142370
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name[3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CCC(CN)(N2Cc3ccccc3C2)C1
InChIInChI=1S/C14H21N3/c1-16-7-6-14(10-15,11-16)17-8-12-4-2-3-5-13(12)9-17/h2-5H,6-11,15H2,1H3
InChIKeyPZKBHHSFSBOXNP-UHFFFAOYSA-N
XLogP1.04
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine (CID 55142370) is [3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine is CN1CCC(CN)(N2Cc3ccccc3C2)C1.
What is the InChIKey of [3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is PZKBHHSFSBOXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-16-7-6-14(10-15,11-16)17-8-12-4-2-3-5-13(12)9-17/h2-5H,6-11,15H2,1H3.
What are the key properties of [3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine?
[3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 231.34 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 55142370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).