4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol

C13H29NO3 — CID 106668524

IUPAC4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CC(C)OCCC(C)(C)OC
InChIInChI=1S/C13H29NO3/c1-11(9-13(4,10-15)14-5)17-8-7-12(2,3)16-6/h11,14-15H,7-10H2,1-6H3
InChIKeyIEMNPYRSCVEWHR-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.57
Rot. Bonds9

About 4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol

4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 106668524) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID106668524
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CC(C)OCCC(C)(C)OC
InChIInChI=1S/C13H29NO3/c1-11(9-13(4,10-15)14-5)17-8-7-12(2,3)16-6/h11,14-15H,7-10H2,1-6H3
InChIKeyIEMNPYRSCVEWHR-UHFFFAOYSA-N
XLogP1.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(methylamino)-4-propoxypentan-1-ol
CID 64808553
4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine
CID 106665316
4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 66224399
4-(3-methoxy-3-methylbutoxy)pentan-1-amine
CID 106667811
3-(3-methoxy-3-methylbutoxy)-N-methylbutan-2-amine
CID 106665253
4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propylamino)pentanamide
CID 106666691
4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64810828
2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol
CID 82793916
(4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol
CID 88673624
2-(4,4-dimethylpentan-2-yloxy)-N-methylethanamine
CID 138567523
N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine
CID 106668220
2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol
CID 64807509

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol (CID 106668524) is 4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol is CNC(C)(CO)CC(C)OCCC(C)(C)OC.
What is the InChIKey of 4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is IEMNPYRSCVEWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-11(9-13(4,10-15)14-5)17-8-7-12(2,3)16-6/h11,14-15H,7-10H2,1-6H3.
What are the key properties of 4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol?
4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylbutoxy)-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 106668524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).