1-(2-amino-4-methyl-3-pyridinyl)pentan-3-ol

C11H18N2O — CID 64515592

IUPAC1-(2-amino-4-methyl-3-pyridinyl)pentan-3-ol
SMILESCCC(O)CCc1c(C)ccnc1N
InChIInChI=1S/C11H18N2O/c1-3-9(14)4-5-10-8(2)6-7-13-11(10)12/h6-7,9,14H,3-5H2,1-2H3,(H2,12,13)
InChIKeySEAXAEVHKPJAND-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.68
Rot. Bonds4

About 1-(2-amino-4-methyl-3-pyridinyl)pentan-3-ol

1-(2-amino-4-methyl-3-pyridinyl)pentan-3-ol (PubChem CID 64515592) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-3-pyridinyl)pentan-3-ol.

Molecular Properties

Compound Name1-(2-amino-4-methyl-3-pyridinyl)pentan-3-ol
PubChem CID64515592
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(2-amino-4-methyl-3-pyridinyl)pentan-3-ol
SMILESCCC(O)CCc1c(C)ccnc1N
InChIInChI=1S/C11H18N2O/c1-3-9(14)4-5-10-8(2)6-7-13-11(10)12/h6-7,9,14H,3-5H2,1-2H3,(H2,12,13)
InChIKeySEAXAEVHKPJAND-UHFFFAOYSA-N
XLogP1.68
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methyl-3-pyridinyl)pentan-3-ol?
The IUPAC name of 1-(2-amino-4-methyl-3-pyridinyl)pentan-3-ol (CID 64515592) is 1-(2-amino-4-methyl-3-pyridinyl)pentan-3-ol.
What is the SMILES notation for 1-(2-amino-4-methyl-3-pyridinyl)pentan-3-ol?
The canonical SMILES for 1-(2-amino-4-methyl-3-pyridinyl)pentan-3-ol is CCC(O)CCc1c(C)ccnc1N.
What is the InChIKey of 1-(2-amino-4-methyl-3-pyridinyl)pentan-3-ol?
The InChIKey is SEAXAEVHKPJAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-9(14)4-5-10-8(2)6-7-13-11(10)12/h6-7,9,14H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of 1-(2-amino-4-methyl-3-pyridinyl)pentan-3-ol?
1-(2-amino-4-methyl-3-pyridinyl)pentan-3-ol has a molecular weight of 194.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-3-pyridinyl)pentan-3-ol is sourced from PubChem (CID 64515592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).