3-[(E)-hex-3-en-3-yl]oxypropan-1-amine

C9H19NO — CID 177047339

IUPAC3-[(E)-hex-3-en-3-yl]oxypropan-1-amine
SMILESCC/C=C(\CC)OCCCN
InChIInChI=1S/C9H19NO/c1-3-6-9(4-2)11-8-5-7-10/h6H,3-5,7-8,10H2,1-2H3/b9-6+
InChIKeyDGMLZTYKSKIASM-RMKNXTFCSA-N
MW157.26 g/mol
LogP2.06
Rot. Bonds6

About 3-[(E)-hex-3-en-3-yl]oxypropan-1-amine

3-[(E)-hex-3-en-3-yl]oxypropan-1-amine (PubChem CID 177047339) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-[(E)-hex-3-en-3-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[(E)-hex-3-en-3-yl]oxypropan-1-amine
PubChem CID177047339
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-[(E)-hex-3-en-3-yl]oxypropan-1-amine
SMILESCC/C=C(\CC)OCCCN
InChIInChI=1S/C9H19NO/c1-3-6-9(4-2)11-8-5-7-10/h6H,3-5,7-8,10H2,1-2H3/b9-6+
InChIKeyDGMLZTYKSKIASM-RMKNXTFCSA-N
XLogP2.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-hex-3-en-3-yl]oxypropan-1-amine?
The IUPAC name of 3-[(E)-hex-3-en-3-yl]oxypropan-1-amine (CID 177047339) is 3-[(E)-hex-3-en-3-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[(E)-hex-3-en-3-yl]oxypropan-1-amine?
The canonical SMILES for 3-[(E)-hex-3-en-3-yl]oxypropan-1-amine is CC/C=C(\CC)OCCCN.
What is the InChIKey of 3-[(E)-hex-3-en-3-yl]oxypropan-1-amine?
The InChIKey is DGMLZTYKSKIASM-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-6-9(4-2)11-8-5-7-10/h6H,3-5,7-8,10H2,1-2H3/b9-6+.
What are the key properties of 3-[(E)-hex-3-en-3-yl]oxypropan-1-amine?
3-[(E)-hex-3-en-3-yl]oxypropan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hex-3-en-3-yl]oxypropan-1-amine is sourced from PubChem (CID 177047339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).