(Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol

C9H17NO — CID 89427234

IUPAC(Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol
SMILESC/C=C(\C=C/C(C)NC)CO
InChIInChI=1S/C9H17NO/c1-4-9(7-11)6-5-8(2)10-3/h4-6,8,10-11H,7H2,1-3H3/b6-5-,9-4+
InChIKeyZRXGTFNHVDLTCV-CXBDEZGUSA-N
MW155.24 g/mol
LogP1.09
Rot. Bonds4

About (Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol

(Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol (PubChem CID 89427234) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol.

Molecular Properties

Compound Name(Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol
PubChem CID89427234
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol
SMILESC/C=C(\C=C/C(C)NC)CO
InChIInChI=1S/C9H17NO/c1-4-9(7-11)6-5-8(2)10-3/h4-6,8,10-11H,7H2,1-3H3/b6-5-,9-4+
InChIKeyZRXGTFNHVDLTCV-CXBDEZGUSA-N
XLogP1.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol?
The IUPAC name of (Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol (CID 89427234) is (Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol.
What is the SMILES notation for (Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol?
The canonical SMILES for (Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol is C/C=C(\C=C/C(C)NC)CO.
What is the InChIKey of (Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol?
The InChIKey is ZRXGTFNHVDLTCV-CXBDEZGUSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-9(7-11)6-5-8(2)10-3/h4-6,8,10-11H,7H2,1-3H3/b6-5-,9-4+.
What are the key properties of (Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol?
(Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol is sourced from PubChem (CID 89427234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).