2-(aminomethyl)-2-methyl-1-(5-methyl-2-pyridinyl)butan-1-ol

C12H20N2O — CID 81320392

IUPAC2-(aminomethyl)-2-methyl-1-(5-methyl-2-pyridinyl)butan-1-ol
SMILESCCC(C)(CN)C(O)c1ccc(C)cn1
InChIInChI=1S/C12H20N2O/c1-4-12(3,8-13)11(15)10-6-5-9(2)7-14-10/h5-7,11,15H,4,8,13H2,1-3H3
InChIKeyLDLBLGDDQCCJNA-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.80
Rot. Bonds4

About 2-(aminomethyl)-2-methyl-1-(5-methyl-2-pyridinyl)butan-1-ol

2-(aminomethyl)-2-methyl-1-(5-methyl-2-pyridinyl)butan-1-ol (PubChem CID 81320392) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methyl-1-(5-methyl-2-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-methyl-1-(5-methyl-2-pyridinyl)butan-1-ol
PubChem CID81320392
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-(aminomethyl)-2-methyl-1-(5-methyl-2-pyridinyl)butan-1-ol
SMILESCCC(C)(CN)C(O)c1ccc(C)cn1
InChIInChI=1S/C12H20N2O/c1-4-12(3,8-13)11(15)10-6-5-9(2)7-14-10/h5-7,11,15H,4,8,13H2,1-3H3
InChIKeyLDLBLGDDQCCJNA-UHFFFAOYSA-N
XLogP1.80
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methyl-1-(5-methyl-2-pyridinyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-methyl-1-(5-methyl-2-pyridinyl)butan-1-ol (CID 81320392) is 2-(aminomethyl)-2-methyl-1-(5-methyl-2-pyridinyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-methyl-1-(5-methyl-2-pyridinyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-methyl-1-(5-methyl-2-pyridinyl)butan-1-ol is CCC(C)(CN)C(O)c1ccc(C)cn1.
What is the InChIKey of 2-(aminomethyl)-2-methyl-1-(5-methyl-2-pyridinyl)butan-1-ol?
The InChIKey is LDLBLGDDQCCJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-12(3,8-13)11(15)10-6-5-9(2)7-14-10/h5-7,11,15H,4,8,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-methyl-1-(5-methyl-2-pyridinyl)butan-1-ol?
2-(aminomethyl)-2-methyl-1-(5-methyl-2-pyridinyl)butan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methyl-1-(5-methyl-2-pyridinyl)butan-1-ol is sourced from PubChem (CID 81320392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).