2-ethylidene-1-(propan-2-ylamino)hex-5-en-1-ol

C11H21NO — CID 123624071

IUPAC2-ethylidene-1-(propan-2-ylamino)hex-5-en-1-ol
SMILESC=CCCC(=CC)C(O)NC(C)C
InChIInChI=1S/C11H21NO/c1-5-7-8-10(6-2)11(13)12-9(3)4/h5-6,9,11-13H,1,7-8H2,2-4H3
InChIKeyWPYQNVOLIJUAFO-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.22
Rot. Bonds6

About 2-ethylidene-1-(propan-2-ylamino)hex-5-en-1-ol

2-ethylidene-1-(propan-2-ylamino)hex-5-en-1-ol (PubChem CID 123624071) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-ethylidene-1-(propan-2-ylamino)hex-5-en-1-ol.

Molecular Properties

Compound Name2-ethylidene-1-(propan-2-ylamino)hex-5-en-1-ol
PubChem CID123624071
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-ethylidene-1-(propan-2-ylamino)hex-5-en-1-ol
SMILESC=CCCC(=CC)C(O)NC(C)C
InChIInChI=1S/C11H21NO/c1-5-7-8-10(6-2)11(13)12-9(3)4/h5-6,9,11-13H,1,7-8H2,2-4H3
InChIKeyWPYQNVOLIJUAFO-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-1-(propan-2-ylamino)hex-5-en-1-ol?
The IUPAC name of 2-ethylidene-1-(propan-2-ylamino)hex-5-en-1-ol (CID 123624071) is 2-ethylidene-1-(propan-2-ylamino)hex-5-en-1-ol.
What is the SMILES notation for 2-ethylidene-1-(propan-2-ylamino)hex-5-en-1-ol?
The canonical SMILES for 2-ethylidene-1-(propan-2-ylamino)hex-5-en-1-ol is C=CCCC(=CC)C(O)NC(C)C.
What is the InChIKey of 2-ethylidene-1-(propan-2-ylamino)hex-5-en-1-ol?
The InChIKey is WPYQNVOLIJUAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-7-8-10(6-2)11(13)12-9(3)4/h5-6,9,11-13H,1,7-8H2,2-4H3.
What are the key properties of 2-ethylidene-1-(propan-2-ylamino)hex-5-en-1-ol?
2-ethylidene-1-(propan-2-ylamino)hex-5-en-1-ol has a molecular weight of 183.29 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-1-(propan-2-ylamino)hex-5-en-1-ol is sourced from PubChem (CID 123624071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).