2,2-dimethyl-N-(2-pyrrolidin-1-ylpropyl)-1,3-dihydroinden-1-amine

C18H28N2 — CID 82814415

IUPAC2,2-dimethyl-N-(2-pyrrolidin-1-ylpropyl)-1,3-dihydroinden-1-amine
SMILESCC(CNC1c2ccccc2CC1(C)C)N1CCCC1
InChIInChI=1S/C18H28N2/c1-14(20-10-6-7-11-20)13-19-17-16-9-5-4-8-15(16)12-18(17,2)3/h4-5,8-9,14,17,19H,6-7,10-13H2,1-3H3
InChIKeyOIDXTLZZQGDRAA-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.38
Rot. Bonds4

About 2,2-dimethyl-N-(2-pyrrolidin-1-ylpropyl)-1,3-dihydroinden-1-amine

2,2-dimethyl-N-(2-pyrrolidin-1-ylpropyl)-1,3-dihydroinden-1-amine (PubChem CID 82814415) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-pyrrolidin-1-ylpropyl)-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-pyrrolidin-1-ylpropyl)-1,3-dihydroinden-1-amine
PubChem CID82814415
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2,2-dimethyl-N-(2-pyrrolidin-1-ylpropyl)-1,3-dihydroinden-1-amine
SMILESCC(CNC1c2ccccc2CC1(C)C)N1CCCC1
InChIInChI=1S/C18H28N2/c1-14(20-10-6-7-11-20)13-19-17-16-9-5-4-8-15(16)12-18(17,2)3/h4-5,8-9,14,17,19H,6-7,10-13H2,1-3H3
InChIKeyOIDXTLZZQGDRAA-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-pyrrolidin-1-ylpropyl)-1,3-dihydroinden-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-pyrrolidin-1-ylpropyl)-1,3-dihydroinden-1-amine (CID 82814415) is 2,2-dimethyl-N-(2-pyrrolidin-1-ylpropyl)-1,3-dihydroinden-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-pyrrolidin-1-ylpropyl)-1,3-dihydroinden-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-pyrrolidin-1-ylpropyl)-1,3-dihydroinden-1-amine is CC(CNC1c2ccccc2CC1(C)C)N1CCCC1.
What is the InChIKey of 2,2-dimethyl-N-(2-pyrrolidin-1-ylpropyl)-1,3-dihydroinden-1-amine?
The InChIKey is OIDXTLZZQGDRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(20-10-6-7-11-20)13-19-17-16-9-5-4-8-15(16)12-18(17,2)3/h4-5,8-9,14,17,19H,6-7,10-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(2-pyrrolidin-1-ylpropyl)-1,3-dihydroinden-1-amine?
2,2-dimethyl-N-(2-pyrrolidin-1-ylpropyl)-1,3-dihydroinden-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-pyrrolidin-1-ylpropyl)-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82814415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).