6-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C16H18N2 — CID 71932396

IUPAC6-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NCc1ccccn1)CC2
InChIInChI=1S/C16H18N2/c1-12-5-6-13-7-8-16(15(13)10-12)18-11-14-4-2-3-9-17-14/h2-6,9-10,16,18H,7-8,11H2,1H3
InChIKeyCWPGXJKJCBTPOL-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.17
Rot. Bonds3

About 6-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine

6-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 71932396) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID71932396
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name6-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NCc1ccccn1)CC2
InChIInChI=1S/C16H18N2/c1-12-5-6-13-7-8-16(15(13)10-12)18-11-14-4-2-3-9-17-14/h2-6,9-10,16,18H,7-8,11H2,1H3
InChIKeyCWPGXJKJCBTPOL-UHFFFAOYSA-N
XLogP3.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 71932396) is 6-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine is Cc1ccc2c(c1)C(NCc1ccccn1)CC2.
What is the InChIKey of 6-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CWPGXJKJCBTPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-12-5-6-13-7-8-16(15(13)10-12)18-11-14-4-2-3-9-17-14/h2-6,9-10,16,18H,7-8,11H2,1H3.
What are the key properties of 6-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
6-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 238.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 71932396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).