2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol

C13H29NO2 — CID 106810584

IUPAC2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol
SMILESCCCCCOCCCC(CC)(CO)NC
InChIInChI=1S/C13H29NO2/c1-4-6-7-10-16-11-8-9-13(5-2,12-15)14-3/h14-15H,4-12H2,1-3H3
InChIKeyRISHINPJAYQVKB-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.33
Rot. Bonds11

About 2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol

2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol (PubChem CID 106810584) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol
PubChem CID106810584
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol
SMILESCCCCCOCCCC(CC)(CO)NC
InChIInChI=1S/C13H29NO2/c1-4-6-7-10-16-11-8-9-13(5-2,12-15)14-3/h14-15H,4-12H2,1-3H3
InChIKeyRISHINPJAYQVKB-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
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-ethyl-2-(methylamino)-5-octoxypentan-1-ol
CID 106810250
2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol
CID 106810270
2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol
CID 106810196
2-methyl-2-(methylamino)-4-octoxybutan-1-ol
CID 64811849
2-ethyl-2-(methylamino)-5-(2-propoxyphenoxy)pentan-1-ol
CID 106810358
2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol
CID 106810296
6-butoxy-2-methyl-2-(methylamino)hexan-1-ol
CID 64806053
2-ethyl-2-(methylamino)-5-propan-2-ylsulfanylpentan-1-ol
CID 106810989
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239
2-ethyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propylamino)pentan-1-ol
CID 106810644
CID 159860963
CID 159860963
2-ethyl-5-[2-methoxyethyl(3-methoxypropyl)amino]-2-(methylamino)pentan-1-ol
CID 106809480

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol?
The IUPAC name of 2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol (CID 106810584) is 2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol is CCCCCOCCCC(CC)(CO)NC.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol?
The InChIKey is RISHINPJAYQVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-4-6-7-10-16-11-8-9-13(5-2,12-15)14-3/h14-15H,4-12H2,1-3H3.
What are the key properties of 2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol?
2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol has a molecular weight of 231.38 g/mol, XLogP of 2.33, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol is sourced from PubChem (CID 106810584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).