1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride

C13H22ClN3 — CID 120843370

IUPAC1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
SMILESCc1ccncc1CN1CCC(C(C)N)C1.Cl
InChIInChI=1S/C13H21N3.ClH/c1-10-3-5-15-7-13(10)9-16-6-4-12(8-16)11(2)14;/h3,5,7,11-12H,4,6,8-9,14H2,1-2H3;1H
InChIKeyTUQQCZWODRUODM-UHFFFAOYSA-N
MW255.79 g/mol
LogP1.98
Rot. Bonds3

About 1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride

1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride (PubChem CID 120843370) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
PubChem CID120843370
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
SMILESCc1ccncc1CN1CCC(C(C)N)C1.Cl
InChIInChI=1S/C13H21N3.ClH/c1-10-3-5-15-7-13(10)9-16-6-4-12(8-16)11(2)14;/h3,5,7,11-12H,4,6,8-9,14H2,1-2H3;1H
InChIKeyTUQQCZWODRUODM-UHFFFAOYSA-N
XLogP1.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 114957636
1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975682
[4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844442
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 104869878
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976273
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630234
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630112
5-ethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,4-diazepane
CID 114957425
1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975543
1-[1-[[2-(methoxymethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975618
1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975675

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride (CID 120843370) is 1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride is Cc1ccncc1CN1CCC(C(C)N)C1.Cl.
What is the InChIKey of 1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride?
The InChIKey is TUQQCZWODRUODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.ClH/c1-10-3-5-15-7-13(10)9-16-6-4-12(8-16)11(2)14;/h3,5,7,11-12H,4,6,8-9,14H2,1-2H3;1H.
What are the key properties of 1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride?
1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120843370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).