(2R)-1-methyl-2-[[(1S)-1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl]methyl]pyrrolidine

C19H29N — CID 178102677

IUPAC(2R)-1-methyl-2-[[(1S)-1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl]methyl]pyrrolidine
SMILESCC(C)c1ccc2c(c1)[C@](C)(C[C@H]1CCCN1C)CC2
InChIInChI=1S/C19H29N/c1-14(2)16-8-7-15-9-10-19(3,18(15)12-16)13-17-6-5-11-20(17)4/h7-8,12,14,17H,5-6,9-11,13H2,1-4H3/t17-,19+/m1/s1
InChIKeyCUBZVBBKRLXMIF-MJGOQNOKSA-N
MW271.45 g/mol
LogP4.50
Rot. Bonds3

About (2R)-1-methyl-2-[[(1S)-1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl]methyl]pyrrolidine

(2R)-1-methyl-2-[[(1S)-1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl]methyl]pyrrolidine (PubChem CID 178102677) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is (2R)-1-methyl-2-[[(1S)-1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-1-methyl-2-[[(1S)-1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl]methyl]pyrrolidine
PubChem CID178102677
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name(2R)-1-methyl-2-[[(1S)-1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl]methyl]pyrrolidine
SMILESCC(C)c1ccc2c(c1)[C@](C)(C[C@H]1CCCN1C)CC2
InChIInChI=1S/C19H29N/c1-14(2)16-8-7-15-9-10-19(3,18(15)12-16)13-17-6-5-11-20(17)4/h7-8,12,14,17H,5-6,9-11,13H2,1-4H3/t17-,19+/m1/s1
InChIKeyCUBZVBBKRLXMIF-MJGOQNOKSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-2-[[(1S)-1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl]methyl]pyrrolidine?
The IUPAC name of (2R)-1-methyl-2-[[(1S)-1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl]methyl]pyrrolidine (CID 178102677) is (2R)-1-methyl-2-[[(1S)-1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl]methyl]pyrrolidine.
What is the SMILES notation for (2R)-1-methyl-2-[[(1S)-1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl]methyl]pyrrolidine?
The canonical SMILES for (2R)-1-methyl-2-[[(1S)-1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl]methyl]pyrrolidine is CC(C)c1ccc2c(c1)[C@](C)(C[C@H]1CCCN1C)CC2.
What is the InChIKey of (2R)-1-methyl-2-[[(1S)-1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl]methyl]pyrrolidine?
The InChIKey is CUBZVBBKRLXMIF-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H29N/c1-14(2)16-8-7-15-9-10-19(3,18(15)12-16)13-17-6-5-11-20(17)4/h7-8,12,14,17H,5-6,9-11,13H2,1-4H3/t17-,19+/m1/s1.
What are the key properties of (2R)-1-methyl-2-[[(1S)-1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl]methyl]pyrrolidine?
(2R)-1-methyl-2-[[(1S)-1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl]methyl]pyrrolidine has a molecular weight of 271.45 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-2-[[(1S)-1-methyl-6-propan-2-yl-2,3-dihydroinden-1-yl]methyl]pyrrolidine is sourced from PubChem (CID 178102677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).