(2E,4E)-1-amino-2-ethyl-5-methylnona-2,4-dien-1-ol

C12H23NO — CID 89256474

IUPAC(2E,4E)-1-amino-2-ethyl-5-methylnona-2,4-dien-1-ol
SMILESCCCC/C(C)=C/C=C(\CC)C(N)O
InChIInChI=1S/C12H23NO/c1-4-6-7-10(3)8-9-11(5-2)12(13)14/h8-9,12,14H,4-7,13H2,1-3H3/b10-8+,11-9+
InChIKeyWALRQURKWNCYRB-GFULKKFKSA-N
MW197.32 g/mol
LogP2.74
Rot. Bonds6

About (2E,4E)-1-amino-2-ethyl-5-methylnona-2,4-dien-1-ol

(2E,4E)-1-amino-2-ethyl-5-methylnona-2,4-dien-1-ol (PubChem CID 89256474) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2E,4E)-1-amino-2-ethyl-5-methylnona-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-1-amino-2-ethyl-5-methylnona-2,4-dien-1-ol
PubChem CID89256474
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2E,4E)-1-amino-2-ethyl-5-methylnona-2,4-dien-1-ol
SMILESCCCC/C(C)=C/C=C(\CC)C(N)O
InChIInChI=1S/C12H23NO/c1-4-6-7-10(3)8-9-11(5-2)12(13)14/h8-9,12,14H,4-7,13H2,1-3H3/b10-8+,11-9+
InChIKeyWALRQURKWNCYRB-GFULKKFKSA-N
XLogP2.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.74
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 (2E,4E)-1-amino-2-ethyl-5-methylnona-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-1-amino-2-ethyl-5-methylnona-2,4-dien-1-ol (CID 89256474) is (2E,4E)-1-amino-2-ethyl-5-methylnona-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-1-amino-2-ethyl-5-methylnona-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-1-amino-2-ethyl-5-methylnona-2,4-dien-1-ol is CCCC/C(C)=C/C=C(\CC)C(N)O.
What is the InChIKey of (2E,4E)-1-amino-2-ethyl-5-methylnona-2,4-dien-1-ol?
The InChIKey is WALRQURKWNCYRB-GFULKKFKSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-6-7-10(3)8-9-11(5-2)12(13)14/h8-9,12,14H,4-7,13H2,1-3H3/b10-8+,11-9+.
What are the key properties of (2E,4E)-1-amino-2-ethyl-5-methylnona-2,4-dien-1-ol?
(2E,4E)-1-amino-2-ethyl-5-methylnona-2,4-dien-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-amino-2-ethyl-5-methylnona-2,4-dien-1-ol is sourced from PubChem (CID 89256474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).