4-(2-butoxyethylamino)-3-methylbutan-1-ol

C11H25NO2 — CID 66108115

IUPAC4-(2-butoxyethylamino)-3-methylbutan-1-ol
SMILESCCCCOCCNCC(C)CCO
InChIInChI=1S/C11H25NO2/c1-3-4-8-14-9-6-12-10-11(2)5-7-13/h11-13H,3-10H2,1-2H3
InChIKeyVMSXZZDPSYRJAD-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.41
Rot. Bonds10

About 4-(2-butoxyethylamino)-3-methylbutan-1-ol

4-(2-butoxyethylamino)-3-methylbutan-1-ol (PubChem CID 66108115) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-(2-butoxyethylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(2-butoxyethylamino)-3-methylbutan-1-ol
PubChem CID66108115
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name4-(2-butoxyethylamino)-3-methylbutan-1-ol
SMILESCCCCOCCNCC(C)CCO
InChIInChI=1S/C11H25NO2/c1-3-4-8-14-9-6-12-10-11(2)5-7-13/h11-13H,3-10H2,1-2H3
InChIKeyVMSXZZDPSYRJAD-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.41
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

4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol
CID 66107039
2,16-dimethyl-N-(2-propoxyethyl)henicosan-1-amine
CID 170065309
2-methyl-N-(2-undecoxyethyl)butan-1-amine
CID 22091443
3-methyl-4-(2-propan-2-yloxyethylamino)butan-1-ol
CID 66109201
2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
CID 103285765
3-(2-butoxyethylamino)-2-methylpropanoic acid
CID 61171284
3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685
N-(2-heptoxyethyl)-2-methylpropan-1-amine
CID 62457906
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-1-amine
CID 142623041
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
N-butyl-4-ethoxy-2-methylbutan-1-amine
CID 156824586
N-(2-methoxyethyl)-2-methyl-4-propoxybutan-1-amine
CID 79568933

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethylamino)-3-methylbutan-1-ol?
The IUPAC name of 4-(2-butoxyethylamino)-3-methylbutan-1-ol (CID 66108115) is 4-(2-butoxyethylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(2-butoxyethylamino)-3-methylbutan-1-ol?
The canonical SMILES for 4-(2-butoxyethylamino)-3-methylbutan-1-ol is CCCCOCCNCC(C)CCO.
What is the InChIKey of 4-(2-butoxyethylamino)-3-methylbutan-1-ol?
The InChIKey is VMSXZZDPSYRJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-3-4-8-14-9-6-12-10-11(2)5-7-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-(2-butoxyethylamino)-3-methylbutan-1-ol?
4-(2-butoxyethylamino)-3-methylbutan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.41, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 66108115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).