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

C11H23NO — CID 19031037

IUPAC6-[ethyl(prop-2-enyl)amino]hexan-1-ol
SMILESC=CCN(CC)CCCCCCO
InChIInChI=1S/C11H23NO/c1-3-9-12(4-2)10-7-5-6-8-11-13/h3,13H,1,4-11H2,2H3
InChIKeyRTTNMFYDZLJTDZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds9

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

6-[ethyl(prop-2-enyl)amino]hexan-1-ol (PubChem CID 19031037) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 6-[ethyl(prop-2-enyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[ethyl(prop-2-enyl)amino]hexan-1-ol
PubChem CID19031037
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name6-[ethyl(prop-2-enyl)amino]hexan-1-ol
SMILESC=CCN(CC)CCCCCCO
InChIInChI=1S/C11H23NO/c1-3-9-12(4-2)10-7-5-6-8-11-13/h3,13H,1,4-11H2,2H3
InChIKeyRTTNMFYDZLJTDZ-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol
CID 87378089
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
2-[pentyl(prop-2-enyl)amino]ethanol
CID 115623581
N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
CID 88725807
ethane;N-ethyl-N-prop-2-enylprop-2-en-1-amine
CID 143235100
N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine
CID 21275121
3-[ethyl(hexadecyl)amino]propan-1-ol
CID 138077517
3-[3-aminopropyl(prop-2-enyl)amino]propan-1-ol
CID 175006752
N-[[ethyl(9-hydroxynonyl)amino]methyl]oct-7-enamide
CID 101274775
6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
CID 154641692

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(prop-2-enyl)amino]hexan-1-ol?
The IUPAC name of 6-[ethyl(prop-2-enyl)amino]hexan-1-ol (CID 19031037) is 6-[ethyl(prop-2-enyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[ethyl(prop-2-enyl)amino]hexan-1-ol?
The canonical SMILES for 6-[ethyl(prop-2-enyl)amino]hexan-1-ol is C=CCN(CC)CCCCCCO.
What is the InChIKey of 6-[ethyl(prop-2-enyl)amino]hexan-1-ol?
The InChIKey is RTTNMFYDZLJTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-9-12(4-2)10-7-5-6-8-11-13/h3,13H,1,4-11H2,2H3.
What are the key properties of 6-[ethyl(prop-2-enyl)amino]hexan-1-ol?
6-[ethyl(prop-2-enyl)amino]hexan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(prop-2-enyl)amino]hexan-1-ol is sourced from PubChem (CID 19031037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).