4-methoxy-2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol

C11H22N2O2 — CID 106254687

IUPAC4-methoxy-2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol
SMILESCOCCC(C)(O)CNC1=NCCCC1
InChIInChI=1S/C11H22N2O2/c1-11(14,6-8-15-2)9-13-10-5-3-4-7-12-10/h14H,3-9H2,1-2H3,(H,12,13)
InChIKeyQGTWOROLUGJSTC-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.95
Rot. Bonds5

About 4-methoxy-2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol

4-methoxy-2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol (PubChem CID 106254687) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol
PubChem CID106254687
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-methoxy-2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol
SMILESCOCCC(C)(O)CNC1=NCCCC1
InChIInChI=1S/C11H22N2O2/c1-11(14,6-8-15-2)9-13-10-5-3-4-7-12-10/h14H,3-9H2,1-2H3,(H,12,13)
InChIKeyQGTWOROLUGJSTC-UHFFFAOYSA-N
XLogP0.95
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)propan-2-ol
CID 79503344
2-Methyl-3-(2,3,4,5-tetrahydropyridin-6-ylamino)propane-1,2-diol
CID 79503351
2-Methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol
CID 79503532
3-[(2,3,4,5-Tetrahydropyridin-6-ylamino)methyl]pentan-3-ol
CID 79503625
3-Methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-1-ol
CID 79504470
2,4-Dimethyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-2-ol
CID 79504568
4-[(3,4-dihydro-2H-pyrrol-5-ylamino)methyl]oxan-4-ol
CID 81130115
4-[(2,3,4,5-Tetrahydropyridin-6-ylamino)methyl]oxan-4-ol
CID 81130703
4-[(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)methyl]oxan-4-ol
CID 81131051
N-[(3-methoxyoxolan-3-yl)methyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 104760801
3-[(2,3,4,5-Tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol
CID 106100574
2-Methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol
CID 106101039

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol (CID 106254687) is 4-methoxy-2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol is COCCC(C)(O)CNC1=NCCCC1.
What is the InChIKey of 4-methoxy-2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol?
The InChIKey is QGTWOROLUGJSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(14,6-8-15-2)9-13-10-5-3-4-7-12-10/h14H,3-9H2,1-2H3,(H,12,13).
What are the key properties of 4-methoxy-2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol?
4-methoxy-2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol has a molecular weight of 214.31 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)butan-2-ol is sourced from PubChem (CID 106254687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).