1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol

C11H17N3O — CID 103358276

IUPAC1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2ccc(N)nc2)C1
InChIInChI=1S/C11H17N3O/c1-11(15)4-5-14(8-11)7-9-2-3-10(12)13-6-9/h2-3,6,15H,4-5,7-8H2,1H3,(H2,12,13)
InChIKeySHTZUWDNSHYQBT-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.62
Rot. Bonds2

About 1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol

1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol (PubChem CID 103358276) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol
PubChem CID103358276
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2ccc(N)nc2)C1
InChIInChI=1S/C11H17N3O/c1-11(15)4-5-14(8-11)7-9-2-3-10(12)13-6-9/h2-3,6,15H,4-5,7-8H2,1H3,(H2,12,13)
InChIKeySHTZUWDNSHYQBT-UHFFFAOYSA-N
XLogP0.62
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol (CID 103358276) is 1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(Cc2ccc(N)nc2)C1.
What is the InChIKey of 1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol?
The InChIKey is SHTZUWDNSHYQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(15)4-5-14(8-11)7-9-2-3-10(12)13-6-9/h2-3,6,15H,4-5,7-8H2,1H3,(H2,12,13).
What are the key properties of 1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol?
1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol has a molecular weight of 207.28 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103358276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).