2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol

C10H19NO — CID 90130168

IUPAC2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol
SMILESC/C=C\C(=C/CC)CNCCO
InChIInChI=1S/C10H19NO/c1-3-5-10(6-4-2)9-11-7-8-12/h3,5-6,11-12H,4,7-9H2,1-2H3/b5-3-,10-6+
InChIKeyWUMAJHBKWCUCCB-UTMABKKZSA-N
MW169.27 g/mol
LogP1.48
Rot. Bonds6

About 2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol

2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol (PubChem CID 90130168) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol
PubChem CID90130168
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol
SMILESC/C=C\C(=C/CC)CNCCO
InChIInChI=1S/C10H19NO/c1-3-5-10(6-4-2)9-11-7-8-12/h3,5-6,11-12H,4,7-9H2,1-2H3/b5-3-,10-6+
InChIKeyWUMAJHBKWCUCCB-UTMABKKZSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol?
The IUPAC name of 2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol (CID 90130168) is 2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol?
The canonical SMILES for 2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol is C/C=C\C(=C/CC)CNCCO.
What is the InChIKey of 2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol?
The InChIKey is WUMAJHBKWCUCCB-UTMABKKZSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-10(6-4-2)9-11-7-8-12/h3,5-6,11-12H,4,7-9H2,1-2H3/b5-3-,10-6+.
What are the key properties of 2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol?
2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol is sourced from PubChem (CID 90130168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).