1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol

C12H18N2O — CID 102545010

IUPAC1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol
SMILESCCC(O)c1cnc(NC2CC2)c(C)c1
InChIInChI=1S/C12H18N2O/c1-3-11(15)9-6-8(2)12(13-7-9)14-10-4-5-10/h6-7,10-11,15H,3-5H2,1-2H3,(H,13,14)
InChIKeyKKPFBEUGHAEZEJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.41
Rot. Bonds4

About 1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol

1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol (PubChem CID 102545010) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol
PubChem CID102545010
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol
SMILESCCC(O)c1cnc(NC2CC2)c(C)c1
InChIInChI=1S/C12H18N2O/c1-3-11(15)9-6-8(2)12(13-7-9)14-10-4-5-10/h6-7,10-11,15H,3-5H2,1-2H3,(H,13,14)
InChIKeyKKPFBEUGHAEZEJ-UHFFFAOYSA-N
XLogP2.41
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol?
The IUPAC name of 1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol (CID 102545010) is 1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol is CCC(O)c1cnc(NC2CC2)c(C)c1.
What is the InChIKey of 1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol?
The InChIKey is KKPFBEUGHAEZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-11(15)9-6-8(2)12(13-7-9)14-10-4-5-10/h6-7,10-11,15H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol?
1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 102545010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).