N-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine

C17H29N3O — CID 106906741

IUPACN-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCOCC1CCN(Cc2cccc(CNC(C)(C)C)n2)C1
InChIInChI=1S/C17H29N3O/c1-17(2,3)18-10-15-6-5-7-16(19-15)12-20-9-8-14(11-20)13-21-4/h5-7,14,18H,8-13H2,1-4H3
InChIKeyVACCMBQSXUNGPC-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.44
Rot. Bonds6

About N-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 106906741) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID106906741
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCOCC1CCN(Cc2cccc(CNC(C)(C)C)n2)C1
InChIInChI=1S/C17H29N3O/c1-17(2,3)18-10-15-6-5-7-16(19-15)12-20-9-8-14(11-20)13-21-4/h5-7,14,18H,8-13H2,1-4H3
InChIKeyVACCMBQSXUNGPC-UHFFFAOYSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 106906741) is N-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine is COCC1CCN(Cc2cccc(CNC(C)(C)C)n2)C1.
What is the InChIKey of N-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is VACCMBQSXUNGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-17(2,3)18-10-15-6-5-7-16(19-15)12-20-9-8-14(11-20)13-21-4/h5-7,14,18H,8-13H2,1-4H3.
What are the key properties of N-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106906741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).