(2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine

C18H27N — CID 178102594

IUPAC(2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
SMILESCC(C)c1cccc2c1[C@@H](C[C@H]1CCCN1C)CC2
InChIInChI=1S/C18H27N/c1-13(2)17-8-4-6-14-9-10-15(18(14)17)12-16-7-5-11-19(16)3/h4,6,8,13,15-16H,5,7,9-12H2,1-3H3/t15-,16-/m1/s1
InChIKeyCAPBXEYYPSHKMI-HZPDHXFCSA-N
MW257.42 g/mol
LogP4.32
Rot. Bonds3

About (2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine

(2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine (PubChem CID 178102594) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is (2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
PubChem CID178102594
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name(2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
SMILESCC(C)c1cccc2c1[C@@H](C[C@H]1CCCN1C)CC2
InChIInChI=1S/C18H27N/c1-13(2)17-8-4-6-14-9-10-15(18(14)17)12-16-7-5-11-19(16)3/h4,6,8,13,15-16H,5,7,9-12H2,1-3H3/t15-,16-/m1/s1
InChIKeyCAPBXEYYPSHKMI-HZPDHXFCSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-methyl-2-[[(1S)-7-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
CID 178102711
(2R)-1-methyl-2-[(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
CID 178102540
(2R)-1-methyl-2-[(6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
CID 178102733
(2R)-1-methyl-2-[[(1R)-6-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
CID 178102473
(2R)-2-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
CID 178102515
1-methyl-7-propan-2-yl-2,3-dihydro-1H-indene
CID 158866458
1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol
CID 169244496
3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol
CID 169244381
3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol
CID 78358010
(2R)-2-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
CID 178102587
(3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole
CID 169244389
2-[[6-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine
CID 178102576

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine?
The IUPAC name of (2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine (CID 178102594) is (2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine.
What is the SMILES notation for (2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine?
The canonical SMILES for (2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine is CC(C)c1cccc2c1[C@@H](C[C@H]1CCCN1C)CC2.
What is the InChIKey of (2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine?
The InChIKey is CAPBXEYYPSHKMI-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H27N/c1-13(2)17-8-4-6-14-9-10-15(18(14)17)12-16-7-5-11-19(16)3/h4,6,8,13,15-16H,5,7,9-12H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of (2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine?
(2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine has a molecular weight of 257.42 g/mol, XLogP of 4.32, 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-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine is sourced from PubChem (CID 178102594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).