(2R,4Z)-1-amino-5-ethylhepta-4,6-dien-2-ol

C9H17NO — CID 88905625

IUPAC(2R,4Z)-1-amino-5-ethylhepta-4,6-dien-2-ol
SMILESC=C/C(=C\C[C@@H](O)CN)CC
InChIInChI=1S/C9H17NO/c1-3-8(4-2)5-6-9(11)7-10/h3,5,9,11H,1,4,6-7,10H2,2H3/b8-5+/t9-/m1/s1
InChIKeyVXUSCDBFGURZGQ-WHXYTISESA-N
MW155.24 g/mol
LogP1.22
Rot. Bonds5

About (2R,4Z)-1-amino-5-ethylhepta-4,6-dien-2-ol

(2R,4Z)-1-amino-5-ethylhepta-4,6-dien-2-ol (PubChem CID 88905625) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2R,4Z)-1-amino-5-ethylhepta-4,6-dien-2-ol.

Molecular Properties

Compound Name(2R,4Z)-1-amino-5-ethylhepta-4,6-dien-2-ol
PubChem CID88905625
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2R,4Z)-1-amino-5-ethylhepta-4,6-dien-2-ol
SMILESC=C/C(=C\C[C@@H](O)CN)CC
InChIInChI=1S/C9H17NO/c1-3-8(4-2)5-6-9(11)7-10/h3,5,9,11H,1,4,6-7,10H2,2H3/b8-5+/t9-/m1/s1
InChIKeyVXUSCDBFGURZGQ-WHXYTISESA-N
XLogP1.22
TPSA46.25 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 ≤ 51.22
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 (2R,4Z)-1-amino-5-ethylhepta-4,6-dien-2-ol?
The IUPAC name of (2R,4Z)-1-amino-5-ethylhepta-4,6-dien-2-ol (CID 88905625) is (2R,4Z)-1-amino-5-ethylhepta-4,6-dien-2-ol.
What is the SMILES notation for (2R,4Z)-1-amino-5-ethylhepta-4,6-dien-2-ol?
The canonical SMILES for (2R,4Z)-1-amino-5-ethylhepta-4,6-dien-2-ol is C=C/C(=C\C[C@@H](O)CN)CC.
What is the InChIKey of (2R,4Z)-1-amino-5-ethylhepta-4,6-dien-2-ol?
The InChIKey is VXUSCDBFGURZGQ-WHXYTISESA-N. The full InChI is InChI=1S/C9H17NO/c1-3-8(4-2)5-6-9(11)7-10/h3,5,9,11H,1,4,6-7,10H2,2H3/b8-5+/t9-/m1/s1.
What are the key properties of (2R,4Z)-1-amino-5-ethylhepta-4,6-dien-2-ol?
(2R,4Z)-1-amino-5-ethylhepta-4,6-dien-2-ol has a molecular weight of 155.24 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4Z)-1-amino-5-ethylhepta-4,6-dien-2-ol is sourced from PubChem (CID 88905625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).