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

C10H18ClN3 — CID 71637660

IUPAC(3S)-N-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(N[C@H]1CCNC1)c1ccc[nH]1.Cl
InChIInChI=1S/C10H17N3.ClH/c1-8(10-3-2-5-12-10)13-9-4-6-11-7-9;/h2-3,5,8-9,11-13H,4,6-7H2,1H3;1H/t8?,9-;/m0./s1
InChIKeyXZPYBQDLPOQYBK-MTFPJWTKSA-N
MW215.73 g/mol
LogP1.45
Rot. Bonds3

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

(3S)-N-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 71637660) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is (3S)-N-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-N-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
PubChem CID71637660
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC Name(3S)-N-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(N[C@H]1CCNC1)c1ccc[nH]1.Cl
InChIInChI=1S/C10H17N3.ClH/c1-8(10-3-2-5-12-10)13-9-4-6-11-7-9;/h2-3,5,8-9,11-13H,4,6-7H2,1H3;1H/t8?,9-;/m0./s1
InChIKeyXZPYBQDLPOQYBK-MTFPJWTKSA-N
XLogP1.45
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-N-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride (CID 71637660) is (3S)-N-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-N-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-N-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride is CC(N[C@H]1CCNC1)c1ccc[nH]1.Cl.
What is the InChIKey of (3S)-N-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is XZPYBQDLPOQYBK-MTFPJWTKSA-N. The full InChI is InChI=1S/C10H17N3.ClH/c1-8(10-3-2-5-12-10)13-9-4-6-11-7-9;/h2-3,5,8-9,11-13H,4,6-7H2,1H3;1H/t8?,9-;/m0./s1.
What are the key properties of (3S)-N-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride?
(3S)-N-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 215.73 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71637660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).