1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine

C17H30N4 — CID 106906528

IUPAC1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2cccc(CNC(C)(C)C)n2)C1
InChIInChI=1S/C17H30N4/c1-17(2,3)18-11-14-7-6-8-15(19-14)12-21-10-9-16(13-21)20(4)5/h6-8,16,18H,9-13H2,1-5H3
InChIKeyWXRVVRLNMUTYBX-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.11
Rot. Bonds5

About 1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine

1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 106906528) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID106906528
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2cccc(CNC(C)(C)C)n2)C1
InChIInChI=1S/C17H30N4/c1-17(2,3)18-11-14-7-6-8-15(19-14)12-21-10-9-16(13-21)20(4)5/h6-8,16,18H,9-13H2,1-5H3
InChIKeyWXRVVRLNMUTYBX-UHFFFAOYSA-N
XLogP2.11
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine (CID 106906528) is 1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(Cc2cccc(CNC(C)(C)C)n2)C1.
What is the InChIKey of 1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is WXRVVRLNMUTYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-17(2,3)18-11-14-7-6-8-15(19-14)12-21-10-9-16(13-21)20(4)5/h6-8,16,18H,9-13H2,1-5H3.
What are the key properties of 1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 290.45 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 106906528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).