2-[methyl-[(3Z,4Z,6Z)-3-prop-2-enylideneocta-4,6-dienyl]amino]ethanol

C14H23NO — CID 143653662

IUPAC2-[methyl-[(3Z,4Z,6Z)-3-prop-2-enylideneocta-4,6-dienyl]amino]ethanol
SMILESC=C/C=C(\C=C/C=C\C)CCN(C)CCO
InChIInChI=1S/C14H23NO/c1-4-6-7-9-14(8-5-2)10-11-15(3)12-13-16/h4-9,16H,2,10-13H2,1,3H3/b6-4-,9-7-,14-8+
InChIKeySCPZZFNTWBRMTB-DHXQLIAASA-N
MW221.34 g/mol
LogP2.55
Rot. Bonds8

About 2-[methyl-[(3Z,4Z,6Z)-3-prop-2-enylideneocta-4,6-dienyl]amino]ethanol

2-[methyl-[(3Z,4Z,6Z)-3-prop-2-enylideneocta-4,6-dienyl]amino]ethanol (PubChem CID 143653662) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[methyl-[(3Z,4Z,6Z)-3-prop-2-enylideneocta-4,6-dienyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[(3Z,4Z,6Z)-3-prop-2-enylideneocta-4,6-dienyl]amino]ethanol
PubChem CID143653662
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[methyl-[(3Z,4Z,6Z)-3-prop-2-enylideneocta-4,6-dienyl]amino]ethanol
SMILESC=C/C=C(\C=C/C=C\C)CCN(C)CCO
InChIInChI=1S/C14H23NO/c1-4-6-7-9-14(8-5-2)10-11-15(3)12-13-16/h4-9,16H,2,10-13H2,1,3H3/b6-4-,9-7-,14-8+
InChIKeySCPZZFNTWBRMTB-DHXQLIAASA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3Z,4Z,6Z)-3-prop-2-enylideneocta-4,6-dienyl]amino]ethanol?
The IUPAC name of 2-[methyl-[(3Z,4Z,6Z)-3-prop-2-enylideneocta-4,6-dienyl]amino]ethanol (CID 143653662) is 2-[methyl-[(3Z,4Z,6Z)-3-prop-2-enylideneocta-4,6-dienyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[(3Z,4Z,6Z)-3-prop-2-enylideneocta-4,6-dienyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[(3Z,4Z,6Z)-3-prop-2-enylideneocta-4,6-dienyl]amino]ethanol is C=C/C=C(\C=C/C=C\C)CCN(C)CCO.
What is the InChIKey of 2-[methyl-[(3Z,4Z,6Z)-3-prop-2-enylideneocta-4,6-dienyl]amino]ethanol?
The InChIKey is SCPZZFNTWBRMTB-DHXQLIAASA-N. The full InChI is InChI=1S/C14H23NO/c1-4-6-7-9-14(8-5-2)10-11-15(3)12-13-16/h4-9,16H,2,10-13H2,1,3H3/b6-4-,9-7-,14-8+.
What are the key properties of 2-[methyl-[(3Z,4Z,6Z)-3-prop-2-enylideneocta-4,6-dienyl]amino]ethanol?
2-[methyl-[(3Z,4Z,6Z)-3-prop-2-enylideneocta-4,6-dienyl]amino]ethanol has a molecular weight of 221.34 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3Z,4Z,6Z)-3-prop-2-enylideneocta-4,6-dienyl]amino]ethanol is sourced from PubChem (CID 143653662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).