2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol

C13H29NO2 — CID 64807509

IUPAC2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol
SMILESCCCCCOC(C)CC(C)(CO)NCC
InChIInChI=1S/C13H29NO2/c1-5-7-8-9-16-12(3)10-13(4,11-15)14-6-2/h12,14-15H,5-11H2,1-4H3
InChIKeyDBUYFENJFCJDNX-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.33
Rot. Bonds10

About 2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol

2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol (PubChem CID 64807509) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol
PubChem CID64807509
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol
SMILESCCCCCOC(C)CC(C)(CO)NCC
InChIInChI=1S/C13H29NO2/c1-5-7-8-9-16-12(3)10-13(4,11-15)14-6-2/h12,14-15H,5-11H2,1-4H3
InChIKeyDBUYFENJFCJDNX-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-octoxy-2-(propylamino)pentan-1-ol
CID 64809987
2-(ethylamino)-2-methyl-4-(4,4,4-trifluorobutoxy)pentan-1-ol
CID 82793916
4-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 66224399
2-(cyclopropylamino)-4-heptoxy-2-methylpentan-1-ol
CID 64802111
2-(ethylamino)-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106450767
4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64810828
4-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 114158146
2-methyl-2-(methylamino)-4-propoxypentan-1-ol
CID 64808553
ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate
CID 64719572
2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol
CID 64811638
4-butoxy-2-(ethylamino)-2-methylpentanoic acid
CID 64706482
4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propylamino)pentan-1-ol
CID 103181446

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol (CID 64807509) is 2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol is CCCCCOC(C)CC(C)(CO)NCC.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol?
The InChIKey is DBUYFENJFCJDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-5-7-8-9-16-12(3)10-13(4,11-15)14-6-2/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol?
2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol has a molecular weight of 231.38 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-pentoxypentan-1-ol is sourced from PubChem (CID 64807509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).