4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol

C13H29NO3 — CID 64810828

IUPAC4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)OCCCOC
InChIInChI=1S/C13H29NO3/c1-5-7-14-13(3,11-15)10-12(2)17-9-6-8-16-4/h12,14-15H,5-11H2,1-4H3
InChIKeyAHTFEBWIYANPLN-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.57
Rot. Bonds11

About 4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol

4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64810828) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64810828
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)OCCCOC
InChIInChI=1S/C13H29NO3/c1-5-7-14-13(3,11-15)10-12(2)17-9-6-8-16-4/h12,14-15H,5-11H2,1-4H3
InChIKeyAHTFEBWIYANPLN-UHFFFAOYSA-N
XLogP1.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
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

4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol
CID 103181446
2-methyl-4-octoxy-2-(propylamino)pentan-1-ol
CID 64809987
2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol
CID 64807509
4-(1-methoxypropan-2-yloxy)-2-methyl-2-(propylamino)butan-1-ol
CID 64808677
2-amino-4-(3-methoxypropoxy)-2-methylpentan-1-ol
CID 64810813
2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol
CID 82793916
2-methyl-4-octan-2-yloxy-2-(propylamino)butan-1-ol
CID 64809585
2-methyl-2-(methylamino)-4-propoxypentan-1-ol
CID 64808553
4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 66224399
4-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)butan-1-ol
CID 64805507
3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol
CID 104567766
6-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64806971

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol (CID 64810828) is 4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CC(C)OCCCOC.
What is the InChIKey of 4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is AHTFEBWIYANPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-5-7-14-13(3,11-15)10-12(2)17-9-6-8-16-4/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol?
4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 1.57, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64810828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).