N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine

C16H27N3O — CID 82893710

IUPACN-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCOc1cc(C)nc(CN2CCCC2CNC(C)C)c1
InChIInChI=1S/C16H27N3O/c1-12(2)17-10-15-6-5-7-19(15)11-14-9-16(20-4)8-13(3)18-14/h8-9,12,15,17H,5-7,10-11H2,1-4H3
InChIKeyAYPMMRMOWABYBF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.36
Rot. Bonds6

About N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine

N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine (PubChem CID 82893710) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
PubChem CID82893710
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCOc1cc(C)nc(CN2CCCC2CNC(C)C)c1
InChIInChI=1S/C16H27N3O/c1-12(2)17-10-15-6-5-7-19(15)11-14-9-16(20-4)8-13(3)18-14/h8-9,12,15,17H,5-7,10-11H2,1-4H3
InChIKeyAYPMMRMOWABYBF-UHFFFAOYSA-N
XLogP2.36
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine (CID 82893710) is N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine is COc1cc(C)nc(CN2CCCC2CNC(C)C)c1.
What is the InChIKey of N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine?
The InChIKey is AYPMMRMOWABYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)17-10-15-6-5-7-19(15)11-14-9-16(20-4)8-13(3)18-14/h8-9,12,15,17H,5-7,10-11H2,1-4H3.
What are the key properties of N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine?
N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 82893710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).