1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride

C13H23Cl2N3O — CID 119917723

IUPAC1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride
SMILESCOc1c(C)cnc(CN2CCC(N)C2)c1C.Cl.Cl
InChIInChI=1S/C13H21N3O.2ClH/c1-9-6-15-12(10(2)13(9)17-3)8-16-5-4-11(14)7-16;;/h6,11H,4-5,7-8,14H2,1-3H3;2*1H
InChIKeyIKIWWXUKMVVNCO-UHFFFAOYSA-N
MW308.25 g/mol
LogP2.08
Rot. Bonds3

About 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride (PubChem CID 119917723) has the molecular formula C13H23Cl2N3O and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride
PubChem CID119917723
Molecular FormulaC13H23Cl2N3O
Molecular Weight308.25 g/mol
Exact Mass307.12
IUPAC Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride
SMILESCOc1c(C)cnc(CN2CCC(N)C2)c1C.Cl.Cl
InChIInChI=1S/C13H21N3O.2ClH/c1-9-6-15-12(10(2)13(9)17-3)8-16-5-4-11(14)7-16;;/h6,11H,4-5,7-8,14H2,1-3H3;2*1H
InChIKeyIKIWWXUKMVVNCO-UHFFFAOYSA-N
XLogP2.08
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 80691461
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502552
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-ol
CID 62021333
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 63032394
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol
CID 103655825
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62025945
5-bromo-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 171327084
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
CID 171130228
N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 56804774
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
CID 155980410
2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 171994399
3-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95708426

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride (CID 119917723) is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride is COc1c(C)cnc(CN2CCC(N)C2)c1C.Cl.Cl.
What is the InChIKey of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride?
The InChIKey is IKIWWXUKMVVNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.2ClH/c1-9-6-15-12(10(2)13(9)17-3)8-16-5-4-11(14)7-16;;/h6,11H,4-5,7-8,14H2,1-3H3;2*1H.
What are the key properties of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride?
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride has a molecular weight of 308.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 119917723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).