N,N-dimethyl-3-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]propan-1-amine

C21H26N2 — CID 10957754

IUPACN,N-dimethyl-3-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]propan-1-amine
SMILESCC(C1=C(CCCN(C)C)Cc2ccccc21)c1ccccn1
InChIInChI=1S/C21H26N2/c1-16(20-12-6-7-13-22-20)21-18(10-8-14-23(2)3)15-17-9-4-5-11-19(17)21/h4-7,9,11-13,16H,8,10,14-15H2,1-3H3
InChIKeyGWWHCPBYLSKMJU-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.54
Rot. Bonds6

About N,N-dimethyl-3-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]propan-1-amine

N,N-dimethyl-3-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]propan-1-amine (PubChem CID 10957754) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]propan-1-amine
PubChem CID10957754
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC NameN,N-dimethyl-3-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]propan-1-amine
SMILESCC(C1=C(CCCN(C)C)Cc2ccccc21)c1ccccn1
InChIInChI=1S/C21H26N2/c1-16(20-12-6-7-13-22-20)21-18(10-8-14-23(2)3)15-17-9-4-5-11-19(17)21/h4-7,9,11-13,16H,8,10,14-15H2,1-3H3
InChIKeyGWWHCPBYLSKMJU-UHFFFAOYSA-N
XLogP4.54
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]propan-1-amine (CID 10957754) is N,N-dimethyl-3-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]propan-1-amine is CC(C1=C(CCCN(C)C)Cc2ccccc21)c1ccccn1.
What is the InChIKey of N,N-dimethyl-3-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]propan-1-amine?
The InChIKey is GWWHCPBYLSKMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-16(20-12-6-7-13-22-20)21-18(10-8-14-23(2)3)15-17-9-4-5-11-19(17)21/h4-7,9,11-13,16H,8,10,14-15H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]propan-1-amine?
N,N-dimethyl-3-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]propan-1-amine has a molecular weight of 306.45 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]propan-1-amine is sourced from PubChem (CID 10957754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).