4-[4-hydroxybutyl(propyl)amino]butan-1-ol

C11H25NO2 — CID 22184075

IUPAC4-[4-hydroxybutyl(propyl)amino]butan-1-ol
SMILESCCCN(CCCCO)CCCCO
InChIInChI=1S/C11H25NO2/c1-2-7-12(8-3-5-10-13)9-4-6-11-14/h13-14H,2-11H2,1H3
InChIKeyDPHNWBVBLWIRNX-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.24
Rot. Bonds10

About 4-[4-hydroxybutyl(propyl)amino]butan-1-ol

4-[4-hydroxybutyl(propyl)amino]butan-1-ol (PubChem CID 22184075) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-[4-hydroxybutyl(propyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[4-hydroxybutyl(propyl)amino]butan-1-ol
PubChem CID22184075
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name4-[4-hydroxybutyl(propyl)amino]butan-1-ol
SMILESCCCN(CCCCO)CCCCO
InChIInChI=1S/C11H25NO2/c1-2-7-12(8-3-5-10-13)9-4-6-11-14/h13-14H,2-11H2,1H3
InChIKeyDPHNWBVBLWIRNX-UHFFFAOYSA-N
XLogP1.24
TPSA43.70 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 ≤ 51.24
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

6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073
3-[decyl(propyl)amino]propan-1-ol
CID 13122229
5-[2-(dimethylamino)ethyl-propylamino]pentan-1-ol
CID 62228988
N,N-didodecyldodecan-1-amine;hexan-1-ol
CID 90010873
13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol
CID 102118007
6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
CID 154641692
6-(dibutylamino)hexan-1-ol
CID 22218557
8-[butyl(8-hydroxyoctyl)amino]octan-1-ol
CID 139645633
11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
CID 102118011
bis(N,N-dipropylpropan-1-amine);heptan-1-ol
CID 87768576
13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol
CID 102118025
10-[hexyl(10-hydroxydecyl)amino]decan-1-ol
CID 102117974

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxybutyl(propyl)amino]butan-1-ol?
The IUPAC name of 4-[4-hydroxybutyl(propyl)amino]butan-1-ol (CID 22184075) is 4-[4-hydroxybutyl(propyl)amino]butan-1-ol.
What is the SMILES notation for 4-[4-hydroxybutyl(propyl)amino]butan-1-ol?
The canonical SMILES for 4-[4-hydroxybutyl(propyl)amino]butan-1-ol is CCCN(CCCCO)CCCCO.
What is the InChIKey of 4-[4-hydroxybutyl(propyl)amino]butan-1-ol?
The InChIKey is DPHNWBVBLWIRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-2-7-12(8-3-5-10-13)9-4-6-11-14/h13-14H,2-11H2,1H3.
What are the key properties of 4-[4-hydroxybutyl(propyl)amino]butan-1-ol?
4-[4-hydroxybutyl(propyl)amino]butan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.24, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxybutyl(propyl)amino]butan-1-ol is sourced from PubChem (CID 22184075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).