2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol

C17H29N3O — CID 114798609

IUPAC2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCc1cc(CNC(C)(C)C)cnc1N1CCC(CCO)C1
InChIInChI=1S/C17H29N3O/c1-13-9-15(11-19-17(2,3)4)10-18-16(13)20-7-5-14(12-20)6-8-21/h9-10,14,19,21H,5-8,11-12H2,1-4H3
InChIKeySKYZIGGGJUYIMW-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.49
Rot. Bonds5

About 2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol

2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol (PubChem CID 114798609) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol
PubChem CID114798609
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCc1cc(CNC(C)(C)C)cnc1N1CCC(CCO)C1
InChIInChI=1S/C17H29N3O/c1-13-9-15(11-19-17(2,3)4)10-18-16(13)20-7-5-14(12-20)6-8-21/h9-10,14,19,21H,5-8,11-12H2,1-4H3
InChIKeySKYZIGGGJUYIMW-UHFFFAOYSA-N
XLogP2.49
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol (CID 114798609) is 2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol is Cc1cc(CNC(C)(C)C)cnc1N1CCC(CCO)C1.
What is the InChIKey of 2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The InChIKey is SKYZIGGGJUYIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13-9-15(11-19-17(2,3)4)10-18-16(13)20-7-5-14(12-20)6-8-21/h9-10,14,19,21H,5-8,11-12H2,1-4H3.
What are the key properties of 2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol?
2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol has a molecular weight of 291.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114798609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).