(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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Related Compounds

(3R,4R)-4-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidin-3-ol
CID 130628669
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81349453
N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine
CID 79724475
(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;dihydrochloride
CID 67407230
(3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride
CID 71637623
(3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 71637667
N-pyrrolidin-3-yl-1H-pyrrol-2-amine
CID 115118615
N-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 79724749
N-[(1R)-1-thiophen-2-ylethyl]piperidin-3-amine
CID 81398343
N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 79725299
N-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 79741892
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611

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).