N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]ethanamine

C19H22N2 — CID 10880435

IUPACN,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]ethanamine
SMILESCN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1
InChIInChI=1S/C19H22N2/c1-21(2)12-10-16-13-15-7-3-4-9-18(15)19(16)14-17-8-5-6-11-20-17/h3-9,11H,10,12-14H2,1-2H3
InChIKeyAPFCQQCNJNTQPE-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.59
Rot. Bonds5

About N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]ethanamine

N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]ethanamine (PubChem CID 10880435) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]ethanamine
PubChem CID10880435
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]ethanamine
SMILESCN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1
InChIInChI=1S/C19H22N2/c1-21(2)12-10-16-13-15-7-3-4-9-18(15)19(16)14-17-8-5-6-11-20-17/h3-9,11H,10,12-14H2,1-2H3
InChIKeyAPFCQQCNJNTQPE-UHFFFAOYSA-N
XLogP3.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]ethanamine (CID 10880435) is N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]ethanamine is CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1.
What is the InChIKey of N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]ethanamine?
The InChIKey is APFCQQCNJNTQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-21(2)12-10-16-13-15-7-3-4-9-18(15)19(16)14-17-8-5-6-11-20-17/h3-9,11H,10,12-14H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]ethanamine?
N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]ethanamine is sourced from PubChem (CID 10880435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).