(3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine

C17H26N2 — CID 170687976

IUPAC(3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine
SMILESCC(C)N1CC[C@@H](c2cccc(N3CCCC3)c2)C1
InChIInChI=1S/C17H26N2/c1-14(2)19-11-8-16(13-19)15-6-5-7-17(12-15)18-9-3-4-10-18/h5-7,12,14,16H,3-4,8-11,13H2,1-2H3/t16-/m1/s1
InChIKeyDARMHYKVEHMUOG-MRXNPFEDSA-N
MW258.41 g/mol
LogP3.48
Rot. Bonds3

About (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine

(3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine (PubChem CID 170687976) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine
PubChem CID170687976
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine
SMILESCC(C)N1CC[C@@H](c2cccc(N3CCCC3)c2)C1
InChIInChI=1S/C17H26N2/c1-14(2)19-11-8-16(13-19)15-6-5-7-17(12-15)18-9-3-4-10-18/h5-7,12,14,16H,3-4,8-11,13H2,1-2H3/t16-/m1/s1
InChIKeyDARMHYKVEHMUOG-MRXNPFEDSA-N
XLogP3.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine?
The IUPAC name of (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine (CID 170687976) is (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine.
What is the SMILES notation for (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine?
The canonical SMILES for (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine is CC(C)N1CC[C@@H](c2cccc(N3CCCC3)c2)C1.
What is the InChIKey of (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine?
The InChIKey is DARMHYKVEHMUOG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N2/c1-14(2)19-11-8-16(13-19)15-6-5-7-17(12-15)18-9-3-4-10-18/h5-7,12,14,16H,3-4,8-11,13H2,1-2H3/t16-/m1/s1.
What are the key properties of (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine?
(3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine has a molecular weight of 258.41 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine is sourced from PubChem (CID 170687976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).