3-(3-butoxypropylamino)butan-2-ol

C11H25NO2 — CID 115687601

IUPAC3-(3-butoxypropylamino)butan-2-ol
SMILESCCCCOCCCNC(C)C(C)O
InChIInChI=1S/C11H25NO2/c1-4-5-8-14-9-6-7-12-10(2)11(3)13/h10-13H,4-9H2,1-3H3
InChIKeyQCDOHVKZUMPFRU-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.55
Rot. Bonds9

About 3-(3-butoxypropylamino)butan-2-ol

3-(3-butoxypropylamino)butan-2-ol (PubChem CID 115687601) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-(3-butoxypropylamino)butan-2-ol.

Molecular Properties

Compound Name3-(3-butoxypropylamino)butan-2-ol
PubChem CID115687601
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name3-(3-butoxypropylamino)butan-2-ol
SMILESCCCCOCCCNC(C)C(C)O
InChIInChI=1S/C11H25NO2/c1-4-5-8-14-9-6-7-12-10(2)11(3)13/h10-13H,4-9H2,1-3H3
InChIKeyQCDOHVKZUMPFRU-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.55
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

butane-2,3-diol;1-butoxybutane
CID 87169993
1-(3-octoxypropylamino)ethanol
CID 88783287
N-[2-(2-butoxyethoxy)ethyl]-3-methylbutan-2-amine
CID 62598326
N-(3-butoxypropyl)-2-methylpentan-3-amine
CID 115704440
N-(3-butoxypropyl)heptan-4-amine
CID 115676243
N-(2-butoxyethyl)-3-methoxybutan-2-amine
CID 115714563
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
1-butoxybutane;propane-1,1-diol
CID 87222669
2-(2-butoxyethylamino)propan-1-ol
CID 61483425
2-(tetradecylamino)propane-1,1-diol
CID 174762987
5-(3-hydroxybutan-2-ylamino)pentan-2-ol
CID 106130571
1-(3-butoxypropoxy)butane;propane-1,2-diol
CID 87596955

Frequently Asked Questions

What is the IUPAC name of 3-(3-butoxypropylamino)butan-2-ol?
The IUPAC name of 3-(3-butoxypropylamino)butan-2-ol (CID 115687601) is 3-(3-butoxypropylamino)butan-2-ol.
What is the SMILES notation for 3-(3-butoxypropylamino)butan-2-ol?
The canonical SMILES for 3-(3-butoxypropylamino)butan-2-ol is CCCCOCCCNC(C)C(C)O.
What is the InChIKey of 3-(3-butoxypropylamino)butan-2-ol?
The InChIKey is QCDOHVKZUMPFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-5-8-14-9-6-7-12-10(2)11(3)13/h10-13H,4-9H2,1-3H3.
What are the key properties of 3-(3-butoxypropylamino)butan-2-ol?
3-(3-butoxypropylamino)butan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butoxypropylamino)butan-2-ol is sourced from PubChem (CID 115687601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).