(3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine

C9H17NO — CID 142810265

IUPAC(3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine
SMILESC=C/C=C(\OCC)[C@H](N)CC
InChIInChI=1S/C9H17NO/c1-4-7-9(11-6-3)8(10)5-2/h4,7-8H,1,5-6,10H2,2-3H3/b9-7-/t8-/m1/s1
InChIKeyGOMDCAXLIKAWND-XZZQCUQZSA-N
MW155.24 g/mol
LogP1.83
Rot. Bonds5

About (3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine

(3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine (PubChem CID 142810265) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine.

Molecular Properties

Compound Name(3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine
PubChem CID142810265
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine
SMILESC=C/C=C(\OCC)[C@H](N)CC
InChIInChI=1S/C9H17NO/c1-4-7-9(11-6-3)8(10)5-2/h4,7-8H,1,5-6,10H2,2-3H3/b9-7-/t8-/m1/s1
InChIKeyGOMDCAXLIKAWND-XZZQCUQZSA-N
XLogP1.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
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 (3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine?
The IUPAC name of (3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine (CID 142810265) is (3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine.
What is the SMILES notation for (3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine?
The canonical SMILES for (3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine is C=C/C=C(\OCC)[C@H](N)CC.
What is the InChIKey of (3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine?
The InChIKey is GOMDCAXLIKAWND-XZZQCUQZSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-7-9(11-6-3)8(10)5-2/h4,7-8H,1,5-6,10H2,2-3H3/b9-7-/t8-/m1/s1.
What are the key properties of (3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine?
(3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4Z)-4-ethoxyhepta-4,6-dien-3-amine is sourced from PubChem (CID 142810265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).