(E,3E)-4-amino-3-ethylidene-2-methylhex-4-en-2-ol

C9H17NO — CID 146253946

IUPAC(E,3E)-4-amino-3-ethylidene-2-methylhex-4-en-2-ol
SMILESC/C=C(N)\C(=C/C)C(C)(C)O
InChIInChI=1S/C9H17NO/c1-5-7(8(10)6-2)9(3,4)11/h5-6,11H,10H2,1-4H3/b7-5+,8-6+
InChIKeyDUURQFPDMFHMHA-KQQUZDAGSA-N
MW155.24 g/mol
LogP1.57
Rot. Bonds2

About (E,3E)-4-amino-3-ethylidene-2-methylhex-4-en-2-ol

(E,3E)-4-amino-3-ethylidene-2-methylhex-4-en-2-ol (PubChem CID 146253946) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E,3E)-4-amino-3-ethylidene-2-methylhex-4-en-2-ol.

Molecular Properties

Compound Name(E,3E)-4-amino-3-ethylidene-2-methylhex-4-en-2-ol
PubChem CID146253946
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E,3E)-4-amino-3-ethylidene-2-methylhex-4-en-2-ol
SMILESC/C=C(N)\C(=C/C)C(C)(C)O
InChIInChI=1S/C9H17NO/c1-5-7(8(10)6-2)9(3,4)11/h5-6,11H,10H2,1-4H3/b7-5+,8-6+
InChIKeyDUURQFPDMFHMHA-KQQUZDAGSA-N
XLogP1.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.57
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 (E,3E)-4-amino-3-ethylidene-2-methylhex-4-en-2-ol?
The IUPAC name of (E,3E)-4-amino-3-ethylidene-2-methylhex-4-en-2-ol (CID 146253946) is (E,3E)-4-amino-3-ethylidene-2-methylhex-4-en-2-ol.
What is the SMILES notation for (E,3E)-4-amino-3-ethylidene-2-methylhex-4-en-2-ol?
The canonical SMILES for (E,3E)-4-amino-3-ethylidene-2-methylhex-4-en-2-ol is C/C=C(N)\C(=C/C)C(C)(C)O.
What is the InChIKey of (E,3E)-4-amino-3-ethylidene-2-methylhex-4-en-2-ol?
The InChIKey is DUURQFPDMFHMHA-KQQUZDAGSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-7(8(10)6-2)9(3,4)11/h5-6,11H,10H2,1-4H3/b7-5+,8-6+.
What are the key properties of (E,3E)-4-amino-3-ethylidene-2-methylhex-4-en-2-ol?
(E,3E)-4-amino-3-ethylidene-2-methylhex-4-en-2-ol has a molecular weight of 155.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3E)-4-amino-3-ethylidene-2-methylhex-4-en-2-ol is sourced from PubChem (CID 146253946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).