(2S)-1-[(2E)-penta-2,4-dien-2-yl]oxypropan-2-amine

C8H15NO — CID 126703032

IUPAC(2S)-1-[(2E)-penta-2,4-dien-2-yl]oxypropan-2-amine
SMILESC=C/C=C(\C)OC[C@H](C)N
InChIInChI=1S/C8H15NO/c1-4-5-8(3)10-6-7(2)9/h4-5,7H,1,6,9H2,2-3H3/b8-5+/t7-/m0/s1
InChIKeyYBJROMFFUKDQQW-QAZRXNLGSA-N
MW141.21 g/mol
LogP1.44
Rot. Bonds4

About (2S)-1-[(2E)-penta-2,4-dien-2-yl]oxypropan-2-amine

(2S)-1-[(2E)-penta-2,4-dien-2-yl]oxypropan-2-amine (PubChem CID 126703032) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2S)-1-[(2E)-penta-2,4-dien-2-yl]oxypropan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(2E)-penta-2,4-dien-2-yl]oxypropan-2-amine
PubChem CID126703032
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2S)-1-[(2E)-penta-2,4-dien-2-yl]oxypropan-2-amine
SMILESC=C/C=C(\C)OC[C@H](C)N
InChIInChI=1S/C8H15NO/c1-4-5-8(3)10-6-7(2)9/h4-5,7H,1,6,9H2,2-3H3/b8-5+/t7-/m0/s1
InChIKeyYBJROMFFUKDQQW-QAZRXNLGSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.44
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 (2S)-1-[(2E)-penta-2,4-dien-2-yl]oxypropan-2-amine?
The IUPAC name of (2S)-1-[(2E)-penta-2,4-dien-2-yl]oxypropan-2-amine (CID 126703032) is (2S)-1-[(2E)-penta-2,4-dien-2-yl]oxypropan-2-amine.
What is the SMILES notation for (2S)-1-[(2E)-penta-2,4-dien-2-yl]oxypropan-2-amine?
The canonical SMILES for (2S)-1-[(2E)-penta-2,4-dien-2-yl]oxypropan-2-amine is C=C/C=C(\C)OC[C@H](C)N.
What is the InChIKey of (2S)-1-[(2E)-penta-2,4-dien-2-yl]oxypropan-2-amine?
The InChIKey is YBJROMFFUKDQQW-QAZRXNLGSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-8(3)10-6-7(2)9/h4-5,7H,1,6,9H2,2-3H3/b8-5+/t7-/m0/s1.
What are the key properties of (2S)-1-[(2E)-penta-2,4-dien-2-yl]oxypropan-2-amine?
(2S)-1-[(2E)-penta-2,4-dien-2-yl]oxypropan-2-amine has a molecular weight of 141.21 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2E)-penta-2,4-dien-2-yl]oxypropan-2-amine is sourced from PubChem (CID 126703032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).