1-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-methylamino]-2-methylpropan-2-ol

C12H21N3O — CID 114765200

IUPAC1-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-methylamino]-2-methylpropan-2-ol
SMILESCc1cc(CN)cc(N(C)CC(C)(C)O)n1
InChIInChI=1S/C12H21N3O/c1-9-5-10(7-13)6-11(14-9)15(4)8-12(2,3)16/h5-6,16H,7-8,13H2,1-4H3
InChIKeyQDFHIOAKKAVBTI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.06
Rot. Bonds4

About 1-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-methylamino]-2-methylpropan-2-ol

1-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-methylamino]-2-methylpropan-2-ol (PubChem CID 114765200) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-methylamino]-2-methylpropan-2-ol
PubChem CID114765200
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-methylamino]-2-methylpropan-2-ol
SMILESCc1cc(CN)cc(N(C)CC(C)(C)O)n1
InChIInChI=1S/C12H21N3O/c1-9-5-10(7-13)6-11(14-9)15(4)8-12(2,3)16/h5-6,16H,7-8,13H2,1-4H3
InChIKeyQDFHIOAKKAVBTI-UHFFFAOYSA-N
XLogP1.06
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-methylamino]-2-methylpropan-2-ol (CID 114765200) is 1-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-methylamino]-2-methylpropan-2-ol is Cc1cc(CN)cc(N(C)CC(C)(C)O)n1.
What is the InChIKey of 1-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is QDFHIOAKKAVBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-5-10(7-13)6-11(14-9)15(4)8-12(2,3)16/h5-6,16H,7-8,13H2,1-4H3.
What are the key properties of 1-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-methylamino]-2-methylpropan-2-ol?
1-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 114765200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).