(3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride

C12H20ClN3 — CID 71637515

IUPAC(3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
SMILESCC(c1ccccn1)N(C)[C@@H]1CCNC1.Cl
InChIInChI=1S/C12H19N3.ClH/c1-10(12-5-3-4-7-14-12)15(2)11-6-8-13-9-11;/h3-5,7,10-11,13H,6,8-9H2,1-2H3;1H/t10?,11-;/m1./s1
InChIKeyJYYDXOCHECGVKJ-PSDUUTOMSA-N
MW241.77 g/mol
LogP1.86
Rot. Bonds3

About (3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride

(3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride (PubChem CID 71637515) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is (3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
PubChem CID71637515
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name(3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
SMILESCC(c1ccccn1)N(C)[C@@H]1CCNC1.Cl
InChIInChI=1S/C12H19N3.ClH/c1-10(12-5-3-4-7-14-12)15(2)11-6-8-13-9-11;/h3-5,7,10-11,13H,6,8-9H2,1-2H3;1H/t10?,11-;/m1./s1
InChIKeyJYYDXOCHECGVKJ-PSDUUTOMSA-N
XLogP1.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 86329926
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637504
N-methyl-N-[1-(4-phenylphenyl)ethyl]pyrrolidin-3-amine
CID 63297346
N-methyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 71637592
N-methyl-N-[(1S)-1-pyrazin-2-ylethyl]piperidin-4-amine
CID 86329861
(1S)-N-methyl-N-[(3R)-piperidin-3-yl]-1-pyridin-2-ylethanesulfonamide
CID 97162035
N-methyl-N-piperidin-3-yl-1-pyridin-2-ylethanesulfonamide
CID 71637418
N-methyl-N-piperidin-4-ylpyridin-2-amine;hydrochloride
CID 71641470
2-[1-[(3R)-piperidin-3-yl]oxyethyl]pyridine;hydrochloride
CID 71637869
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylethyl)ethanamine
CID 15806675
2-(1-piperidin-4-yloxyethyl)pyridine
CID 71637942
(3S)-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 71637667

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride (CID 71637515) is (3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride is CC(c1ccccn1)N(C)[C@@H]1CCNC1.Cl.
What is the InChIKey of (3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is JYYDXOCHECGVKJ-PSDUUTOMSA-N. The full InChI is InChI=1S/C12H19N3.ClH/c1-10(12-5-3-4-7-14-12)15(2)11-6-8-13-9-11;/h3-5,7,10-11,13H,6,8-9H2,1-2H3;1H/t10?,11-;/m1./s1.
What are the key properties of (3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride?
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 241.77 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71637515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).