3-methyl-3-[(5-methyl-3-pyridinyl)methylamino]pentan-1-ol

C13H22N2O — CID 106175777

IUPAC3-methyl-3-[(5-methyl-3-pyridinyl)methylamino]pentan-1-ol
SMILESCCC(C)(CCO)NCc1cncc(C)c1
InChIInChI=1S/C13H22N2O/c1-4-13(3,5-6-16)15-10-12-7-11(2)8-14-9-12/h7-9,15-16H,4-6,10H2,1-3H3
InChIKeyRTWXAQPEMJKKMD-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.03
Rot. Bonds6

About 3-methyl-3-[(5-methyl-3-pyridinyl)methylamino]pentan-1-ol

3-methyl-3-[(5-methyl-3-pyridinyl)methylamino]pentan-1-ol (PubChem CID 106175777) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-methyl-3-[(5-methyl-3-pyridinyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(5-methyl-3-pyridinyl)methylamino]pentan-1-ol
PubChem CID106175777
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-methyl-3-[(5-methyl-3-pyridinyl)methylamino]pentan-1-ol
SMILESCCC(C)(CCO)NCc1cncc(C)c1
InChIInChI=1S/C13H22N2O/c1-4-13(3,5-6-16)15-10-12-7-11(2)8-14-9-12/h7-9,15-16H,4-6,10H2,1-3H3
InChIKeyRTWXAQPEMJKKMD-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine
CID 102794623
4-chloro-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]butan-2-amine
CID 102879048
1-chloro-2-(chloromethyl)-N-[(5-methyl-3-pyridinyl)methyl]butan-2-amine
CID 107867153
3-(furan-3-ylmethylamino)-3-methylpentan-1-ol
CID 115699077
3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol
CID 115699079
N-[4-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]phenyl]acetamide
CID 103768915
3-(1H-indol-6-ylmethylamino)-3-methylpentan-1-ol
CID 106172243
(2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 167984285
5-chloro-2,2-dimethyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine
CID 106140789
2-methyl-1-[(5-methyl-3-pyridinyl)methylamino]-3-methylsulfanylpropan-2-ol
CID 106247335
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)-3-methylpentan-1-ol
CID 106172276
2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol
CID 102794628

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(5-methyl-3-pyridinyl)methylamino]pentan-1-ol?
The IUPAC name of 3-methyl-3-[(5-methyl-3-pyridinyl)methylamino]pentan-1-ol (CID 106175777) is 3-methyl-3-[(5-methyl-3-pyridinyl)methylamino]pentan-1-ol.
What is the SMILES notation for 3-methyl-3-[(5-methyl-3-pyridinyl)methylamino]pentan-1-ol?
The canonical SMILES for 3-methyl-3-[(5-methyl-3-pyridinyl)methylamino]pentan-1-ol is CCC(C)(CCO)NCc1cncc(C)c1.
What is the InChIKey of 3-methyl-3-[(5-methyl-3-pyridinyl)methylamino]pentan-1-ol?
The InChIKey is RTWXAQPEMJKKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-13(3,5-6-16)15-10-12-7-11(2)8-14-9-12/h7-9,15-16H,4-6,10H2,1-3H3.
What are the key properties of 3-methyl-3-[(5-methyl-3-pyridinyl)methylamino]pentan-1-ol?
3-methyl-3-[(5-methyl-3-pyridinyl)methylamino]pentan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(5-methyl-3-pyridinyl)methylamino]pentan-1-ol is sourced from PubChem (CID 106175777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).