4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol

C11H23NO2 — CID 87378089

IUPAC4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol
SMILESC=CCN(CCCCO)CCCCO
InChIInChI=1S/C11H23NO2/c1-2-7-12(8-3-5-10-13)9-4-6-11-14/h2,13-14H,1,3-11H2
InChIKeyCPDPTCMQZZATKH-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.02
Rot. Bonds10

About 4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol

4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol (PubChem CID 87378089) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol
PubChem CID87378089
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol
SMILESC=CCN(CCCCO)CCCCO
InChIInChI=1S/C11H23NO2/c1-2-7-12(8-3-5-10-13)9-4-6-11-14/h2,13-14H,1,3-11H2
InChIKeyCPDPTCMQZZATKH-UHFFFAOYSA-N
XLogP1.02
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol
CID 87378049
6-[ethyl(prop-2-enyl)amino]hexan-1-ol
CID 19031037
3-[3-aminopropyl(prop-2-enyl)amino]propan-1-ol
CID 175006752
2-[pentyl(prop-2-enyl)amino]ethanol
CID 115623581
2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol
CID 54201266
6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile
CID 106713825
N-(5-hydroxypentyl)-N-prop-2-enylprop-2-enamide
CID 135128737
N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile
CID 111565160
2-[prop-2-enyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]ethanol
CID 115633472
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
CID 88725807

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol?
The IUPAC name of 4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol (CID 87378089) is 4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol.
What is the SMILES notation for 4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol?
The canonical SMILES for 4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol is C=CCN(CCCCO)CCCCO.
What is the InChIKey of 4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol?
The InChIKey is CPDPTCMQZZATKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-2-7-12(8-3-5-10-13)9-4-6-11-14/h2,13-14H,1,3-11H2.
What are the key properties of 4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol?
4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.02, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol is sourced from PubChem (CID 87378089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).