2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol

C11H18N2O — CID 155384095

IUPAC2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol
SMILESCC(C)Nc1ccc(C(C)(C)O)nc1
InChIInChI=1S/C11H18N2O/c1-8(2)13-9-5-6-10(12-7-9)11(3,4)14/h5-8,13-14H,1-4H3
InChIKeyUNSAQQDIDSAHIH-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.13
Rot. Bonds3

About 2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol

2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol (PubChem CID 155384095) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol
PubChem CID155384095
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol
SMILESCC(C)Nc1ccc(C(C)(C)O)nc1
InChIInChI=1S/C11H18N2O/c1-8(2)13-9-5-6-10(12-7-9)11(3,4)14/h5-8,13-14H,1-4H3
InChIKeyUNSAQQDIDSAHIH-UHFFFAOYSA-N
XLogP2.13
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol (CID 155384095) is 2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol is CC(C)Nc1ccc(C(C)(C)O)nc1.
What is the InChIKey of 2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol?
The InChIKey is UNSAQQDIDSAHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)13-9-5-6-10(12-7-9)11(3,4)14/h5-8,13-14H,1-4H3.
What are the key properties of 2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol?
2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(propan-2-ylamino)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155384095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).