(Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol

C9H17NO — CID 121464012

IUPAC(Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol
SMILESC=C(/C=C\CC)C(O)NCC
InChIInChI=1S/C9H17NO/c1-4-6-7-8(3)9(11)10-5-2/h6-7,9-11H,3-5H2,1-2H3/b7-6-
InChIKeyACDAXJGSSBIWPW-SREVYHEPSA-N
MW155.24 g/mol
LogP1.44
Rot. Bonds5

About (Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol

(Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol (PubChem CID 121464012) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol.

Molecular Properties

Compound Name(Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol
PubChem CID121464012
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol
SMILESC=C(/C=C\CC)C(O)NCC
InChIInChI=1S/C9H17NO/c1-4-6-7-8(3)9(11)10-5-2/h6-7,9-11H,3-5H2,1-2H3/b7-6-
InChIKeyACDAXJGSSBIWPW-SREVYHEPSA-N
XLogP1.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.44
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol?
The IUPAC name of (Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol (CID 121464012) is (Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol.
What is the SMILES notation for (Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol?
The canonical SMILES for (Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol is C=C(/C=C\CC)C(O)NCC.
What is the InChIKey of (Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol?
The InChIKey is ACDAXJGSSBIWPW-SREVYHEPSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-7-8(3)9(11)10-5-2/h6-7,9-11H,3-5H2,1-2H3/b7-6-.
What are the key properties of (Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol?
(Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(ethylamino)-2-methylidenehex-3-en-1-ol is sourced from PubChem (CID 121464012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).