(2S,3S)-1-propan-2-yl-2-(1H-pyrrol-2-yl)pyrrolidin-3-amine

C11H19N3 — CID 178196565

IUPAC(2S,3S)-1-propan-2-yl-2-(1H-pyrrol-2-yl)pyrrolidin-3-amine
SMILESCC(C)N1CC[C@H](N)[C@H]1c1ccc[nH]1
InChIInChI=1S/C11H19N3/c1-8(2)14-7-5-9(12)11(14)10-4-3-6-13-10/h3-4,6,8-9,11,13H,5,7,12H2,1-2H3/t9-,11-/m0/s1
InChIKeyBZTXFPWXMJMAOW-ONGXEEELSA-N
MW193.29 g/mol
LogP1.50
Rot. Bonds2

About (2S,3S)-1-propan-2-yl-2-(1H-pyrrol-2-yl)pyrrolidin-3-amine

(2S,3S)-1-propan-2-yl-2-(1H-pyrrol-2-yl)pyrrolidin-3-amine (PubChem CID 178196565) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S,3S)-1-propan-2-yl-2-(1H-pyrrol-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-1-propan-2-yl-2-(1H-pyrrol-2-yl)pyrrolidin-3-amine
PubChem CID178196565
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(2S,3S)-1-propan-2-yl-2-(1H-pyrrol-2-yl)pyrrolidin-3-amine
SMILESCC(C)N1CC[C@H](N)[C@H]1c1ccc[nH]1
InChIInChI=1S/C11H19N3/c1-8(2)14-7-5-9(12)11(14)10-4-3-6-13-10/h3-4,6,8-9,11,13H,5,7,12H2,1-2H3/t9-,11-/m0/s1
InChIKeyBZTXFPWXMJMAOW-ONGXEEELSA-N
XLogP1.50
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-propan-2-yl-2-(1H-pyrrol-2-yl)pyrrolidin-3-amine?
The IUPAC name of (2S,3S)-1-propan-2-yl-2-(1H-pyrrol-2-yl)pyrrolidin-3-amine (CID 178196565) is (2S,3S)-1-propan-2-yl-2-(1H-pyrrol-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (2S,3S)-1-propan-2-yl-2-(1H-pyrrol-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (2S,3S)-1-propan-2-yl-2-(1H-pyrrol-2-yl)pyrrolidin-3-amine is CC(C)N1CC[C@H](N)[C@H]1c1ccc[nH]1.
What is the InChIKey of (2S,3S)-1-propan-2-yl-2-(1H-pyrrol-2-yl)pyrrolidin-3-amine?
The InChIKey is BZTXFPWXMJMAOW-ONGXEEELSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)14-7-5-9(12)11(14)10-4-3-6-13-10/h3-4,6,8-9,11,13H,5,7,12H2,1-2H3/t9-,11-/m0/s1.
What are the key properties of (2S,3S)-1-propan-2-yl-2-(1H-pyrrol-2-yl)pyrrolidin-3-amine?
(2S,3S)-1-propan-2-yl-2-(1H-pyrrol-2-yl)pyrrolidin-3-amine has a molecular weight of 193.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-propan-2-yl-2-(1H-pyrrol-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 178196565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).