(3S)-1-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride

C10H18ClN3 — CID 71637682

IUPAC(3S)-1-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(c1ccc[nH]1)N1CC[C@H](N)C1.Cl
InChIInChI=1S/C10H17N3.ClH/c1-8(10-3-2-5-12-10)13-6-4-9(11)7-13;/h2-3,5,8-9,12H,4,6-7,11H2,1H3;1H/t8?,9-;/m0./s1
InChIKeyDQDPMQVKRPDTQA-MTFPJWTKSA-N
MW215.73 g/mol
LogP1.53
Rot. Bonds2

About (3S)-1-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride

(3S)-1-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 71637682) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is (3S)-1-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
PubChem CID71637682
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC Name(3S)-1-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(c1ccc[nH]1)N1CC[C@H](N)C1.Cl
InChIInChI=1S/C10H17N3.ClH/c1-8(10-3-2-5-12-10)13-6-4-9(11)7-13;/h2-3,5,8-9,12H,4,6-7,11H2,1H3;1H/t8?,9-;/m0./s1
InChIKeyDQDPMQVKRPDTQA-MTFPJWTKSA-N
XLogP1.53
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride (CID 71637682) is (3S)-1-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride is CC(c1ccc[nH]1)N1CC[C@H](N)C1.Cl.
What is the InChIKey of (3S)-1-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is DQDPMQVKRPDTQA-MTFPJWTKSA-N. The full InChI is InChI=1S/C10H17N3.ClH/c1-8(10-3-2-5-12-10)13-6-4-9(11)7-13;/h2-3,5,8-9,12H,4,6-7,11H2,1H3;1H/t8?,9-;/m0./s1.
What are the key properties of (3S)-1-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride?
(3S)-1-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 215.73 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71637682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).