4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol

C13H22N2O — CID 115611326

IUPAC4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol
SMILESCc1ncccc1CNCC(O)CC(C)C
InChIInChI=1S/C13H22N2O/c1-10(2)7-13(16)9-14-8-12-5-4-6-15-11(12)3/h4-6,10,13-14,16H,7-9H2,1-3H3
InChIKeyFKVCQLKUPZNRLX-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.89
Rot. Bonds6

About 4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol

4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol (PubChem CID 115611326) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol
PubChem CID115611326
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol
SMILESCc1ncccc1CNCC(O)CC(C)C
InChIInChI=1S/C13H22N2O/c1-10(2)7-13(16)9-14-8-12-5-4-6-15-11(12)3/h4-6,10,13-14,16H,7-9H2,1-3H3
InChIKeyFKVCQLKUPZNRLX-UHFFFAOYSA-N
XLogP1.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pentan-2-ol
CID 107151609
2-[[(2-hydroxy-4-methylpentyl)amino]methyl]phenol;hydrochloride
CID 115603201
1,1,1-trifluoro-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 115611293
1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631775
1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 111110859
2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
CID 115611278
4-methyl-1-[(2-nitrophenyl)methylamino]pentan-2-ol
CID 103637396
1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol
CID 110928680
N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine
CID 78928581
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
CID 109480929
(2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274150
4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol
CID 103631788

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol?
The IUPAC name of 4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol (CID 115611326) is 4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol.
What is the SMILES notation for 4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol?
The canonical SMILES for 4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol is Cc1ncccc1CNCC(O)CC(C)C.
What is the InChIKey of 4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol?
The InChIKey is FKVCQLKUPZNRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)7-13(16)9-14-8-12-5-4-6-15-11(12)3/h4-6,10,13-14,16H,7-9H2,1-3H3.
What are the key properties of 4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol?
4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol is sourced from PubChem (CID 115611326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).