N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine

C16H27N3 — CID 106906831

IUPACN-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(CN2CC(C)C(C)C2)n1
InChIInChI=1S/C16H27N3/c1-12(2)17-8-15-6-5-7-16(18-15)11-19-9-13(3)14(4)10-19/h5-7,12-14,17H,8-11H2,1-4H3
InChIKeyAOIUPDCMFMYVHG-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.67
Rot. Bonds5

About N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine

N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 106906831) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
PubChem CID106906831
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(CN2CC(C)C(C)C2)n1
InChIInChI=1S/C16H27N3/c1-12(2)17-8-15-6-5-7-16(18-15)11-19-9-13(3)14(4)10-19/h5-7,12-14,17H,8-11H2,1-4H3
InChIKeyAOIUPDCMFMYVHG-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Pyrrolidin-2-yl)pyridine
CID 2771659
Methyl(6-methyl-2-pyridylmethyl)amine
CID 81438
(6-Methylpyridin-2-yl)methanamine
CID 246721
1-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazine
CID 247631
(1,5-dimethyl-1H-pyrrol-2-yl)methanamine
CID 737232
[(1R)-1-cyclohexylethyl](methyl)(1H-pyrrol-2-ylmethyl)amine
CID 16110300
N,N'-(pyridine-2,6-diylbis(methylene))dianiline
CID 21130249
1-Ethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 3159598
Methyl[1-(pyridin-2-yl)ethyl]amine
CID 16773381
N,N-Dimethyl-N'-pyridin-2-ylmethyl-ethane-1,2-diamine
CID 3154224
1,6-dimethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine
CID 3672668
1-[[6-(1,4,8,11-Tetrazacyclotetradec-1-ylmethyl)-2-pyridinyl]methyl]-1,4,8,11-tetrazacyclotetradecane;hydrobromide
CID 52947830

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine (CID 106906831) is N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cccc(CN2CC(C)C(C)C2)n1.
What is the InChIKey of N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is AOIUPDCMFMYVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12(2)17-8-15-6-5-7-16(18-15)11-19-9-13(3)14(4)10-19/h5-7,12-14,17H,8-11H2,1-4H3.
What are the key properties of N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine?
N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106906831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).