2-[(E)-hex-3-en-3-yl]oxypropan-2-amine

C9H19NO — CID 167103951

IUPAC2-[(E)-hex-3-en-3-yl]oxypropan-2-amine
SMILESCC/C=C(\CC)OC(C)(C)N
InChIInChI=1S/C9H19NO/c1-5-7-8(6-2)11-9(3,4)10/h7H,5-6,10H2,1-4H3/b8-7+
InChIKeyIUMWIGXPPILZGG-BQYQJAHWSA-N
MW157.26 g/mol
LogP2.40
Rot. Bonds4

About 2-[(E)-hex-3-en-3-yl]oxypropan-2-amine

2-[(E)-hex-3-en-3-yl]oxypropan-2-amine (PubChem CID 167103951) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-[(E)-hex-3-en-3-yl]oxypropan-2-amine.

Molecular Properties

Compound Name2-[(E)-hex-3-en-3-yl]oxypropan-2-amine
PubChem CID167103951
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-[(E)-hex-3-en-3-yl]oxypropan-2-amine
SMILESCC/C=C(\CC)OC(C)(C)N
InChIInChI=1S/C9H19NO/c1-5-7-8(6-2)11-9(3,4)10/h7H,5-6,10H2,1-4H3/b8-7+
InChIKeyIUMWIGXPPILZGG-BQYQJAHWSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-3-en-3-yl]oxypropan-2-amine?
The IUPAC name of 2-[(E)-hex-3-en-3-yl]oxypropan-2-amine (CID 167103951) is 2-[(E)-hex-3-en-3-yl]oxypropan-2-amine.
What is the SMILES notation for 2-[(E)-hex-3-en-3-yl]oxypropan-2-amine?
The canonical SMILES for 2-[(E)-hex-3-en-3-yl]oxypropan-2-amine is CC/C=C(\CC)OC(C)(C)N.
What is the InChIKey of 2-[(E)-hex-3-en-3-yl]oxypropan-2-amine?
The InChIKey is IUMWIGXPPILZGG-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-7-8(6-2)11-9(3,4)10/h7H,5-6,10H2,1-4H3/b8-7+.
What are the key properties of 2-[(E)-hex-3-en-3-yl]oxypropan-2-amine?
2-[(E)-hex-3-en-3-yl]oxypropan-2-amine has a molecular weight of 157.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-3-en-3-yl]oxypropan-2-amine is sourced from PubChem (CID 167103951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).