6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol

C15H31NO2 — CID 87378049

IUPAC6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol
SMILESC=CCN(CCCCCCO)CCCCCCO
InChIInChI=1S/C15H31NO2/c1-2-11-16(12-7-3-5-9-14-17)13-8-4-6-10-15-18/h2,17-18H,1,3-15H2
InChIKeyDCGFZNYSJWLOHO-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.58
Rot. Bonds14

About 6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol

6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol (PubChem CID 87378049) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol
PubChem CID87378049
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol
SMILESC=CCN(CCCCCCO)CCCCCCO
InChIInChI=1S/C15H31NO2/c1-2-11-16(12-7-3-5-9-14-17)13-8-4-6-10-15-18/h2,17-18H,1,3-15H2
InChIKeyDCGFZNYSJWLOHO-UHFFFAOYSA-N
XLogP2.58
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.58
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

4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol
CID 87378089
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
N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
N-(5-hydroxypentyl)-N-prop-2-enylprop-2-enamide
CID 135128737
2-[3-[bis(prop-2-enyl)amino]propylamino]ethanol
CID 54201266
N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
CID 88725807
6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile
CID 106713825
N-(8-hydroxyoctyl)-2-methyl-N-prop-2-enylprop-2-enamide
CID 135128662
17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine
CID 153323373
5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile
CID 111565160

Frequently Asked Questions

What is the IUPAC name of 6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol?
The IUPAC name of 6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol (CID 87378049) is 6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol?
The canonical SMILES for 6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol is C=CCN(CCCCCCO)CCCCCCO.
What is the InChIKey of 6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol?
The InChIKey is DCGFZNYSJWLOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-2-11-16(12-7-3-5-9-14-17)13-8-4-6-10-15-18/h2,17-18H,1,3-15H2.
What are the key properties of 6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol?
6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 2.58, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol is sourced from PubChem (CID 87378049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).