5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C13H29NO3 — CID 64811392

IUPAC5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCOCC(C)OCCCC(C)(CO)NC(C)C
InChIInChI=1S/C13H29NO3/c1-11(2)14-13(4,10-15)7-6-8-17-12(3)9-16-5/h11-12,14-15H,6-10H2,1-5H3
InChIKeyMBXIGHWOSGOULX-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.57
Rot. Bonds10

About 5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64811392) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64811392
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCOCC(C)OCCCC(C)(CO)NC(C)C
InChIInChI=1S/C13H29NO3/c1-11(2)14-13(4,10-15)7-6-8-17-12(3)9-16-5/h11-12,14-15H,6-10H2,1-5H3
InChIKeyMBXIGHWOSGOULX-UHFFFAOYSA-N
XLogP1.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-methoxypropoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64810830
2-ethyl-2-(ethylamino)-5-(1-methoxypropan-2-yloxy)pentan-1-ol
CID 106810166
5-(2-methoxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64820822
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239
6-[1-methoxypropan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64826309
2-methyl-2-(propan-2-ylamino)-6-(2-propan-2-yloxyethoxy)hexan-1-ol
CID 64805299
5-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64808655
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexan-1-ol
CID 82795380
6-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64807379
4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol
CID 64808677
5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64828176
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexan-1-ol
CID 103286053

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64811392) is 5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is COCC(C)OCCCC(C)(CO)NC(C)C.
What is the InChIKey of 5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is MBXIGHWOSGOULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-11(2)14-13(4,10-15)7-6-8-17-12(3)9-16-5/h11-12,14-15H,6-10H2,1-5H3.
What are the key properties of 5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 1.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxypropan-2-yloxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64811392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).