(2E,4Z)-2-amino-4,6-dimethylhepta-2,4,6-trien-3-ol

C9H15NO — CID 163756555

IUPAC(2E,4Z)-2-amino-4,6-dimethylhepta-2,4,6-trien-3-ol
SMILESC=C(C)/C=C(C)\C(O)=C(\C)N
InChIInChI=1S/C9H15NO/c1-6(2)5-7(3)9(11)8(4)10/h5,11H,1,10H2,2-4H3/b7-5-,9-8+
InChIKeyLUOIXDJPODRYPF-SUHGFZJFSA-N
MW153.22 g/mol
LogP2.26
Rot. Bonds2

About (2E,4Z)-2-amino-4,6-dimethylhepta-2,4,6-trien-3-ol

(2E,4Z)-2-amino-4,6-dimethylhepta-2,4,6-trien-3-ol (PubChem CID 163756555) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2E,4Z)-2-amino-4,6-dimethylhepta-2,4,6-trien-3-ol.

Molecular Properties

Compound Name(2E,4Z)-2-amino-4,6-dimethylhepta-2,4,6-trien-3-ol
PubChem CID163756555
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2E,4Z)-2-amino-4,6-dimethylhepta-2,4,6-trien-3-ol
SMILESC=C(C)/C=C(C)\C(O)=C(\C)N
InChIInChI=1S/C9H15NO/c1-6(2)5-7(3)9(11)8(4)10/h5,11H,1,10H2,2-4H3/b7-5-,9-8+
InChIKeyLUOIXDJPODRYPF-SUHGFZJFSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-amino-4,6-dimethylhepta-2,4,6-trien-3-ol?
The IUPAC name of (2E,4Z)-2-amino-4,6-dimethylhepta-2,4,6-trien-3-ol (CID 163756555) is (2E,4Z)-2-amino-4,6-dimethylhepta-2,4,6-trien-3-ol.
What is the SMILES notation for (2E,4Z)-2-amino-4,6-dimethylhepta-2,4,6-trien-3-ol?
The canonical SMILES for (2E,4Z)-2-amino-4,6-dimethylhepta-2,4,6-trien-3-ol is C=C(C)/C=C(C)\C(O)=C(\C)N.
What is the InChIKey of (2E,4Z)-2-amino-4,6-dimethylhepta-2,4,6-trien-3-ol?
The InChIKey is LUOIXDJPODRYPF-SUHGFZJFSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)5-7(3)9(11)8(4)10/h5,11H,1,10H2,2-4H3/b7-5-,9-8+.
What are the key properties of (2E,4Z)-2-amino-4,6-dimethylhepta-2,4,6-trien-3-ol?
(2E,4Z)-2-amino-4,6-dimethylhepta-2,4,6-trien-3-ol has a molecular weight of 153.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-amino-4,6-dimethylhepta-2,4,6-trien-3-ol is sourced from PubChem (CID 163756555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).