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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Related Compounds

N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106905911
1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 106906528
N-[[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 64581399
N-[[6-(azocan-1-ylmethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106905667
2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906466
1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106907083
5-bromo-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 115642522
2-methyl-N-[[6-(4-propylpiperidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62285028
N-[[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
CID 64583192
N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine
CID 64583996
[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]methanamine
CID 114199079
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-2-amine
CID 64568140

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).