2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol

C10H17NO — CID 88881134

IUPAC2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol
SMILESC/C=C\C=C/C(C)=C\NCCO
InChIInChI=1S/C10H17NO/c1-3-4-5-6-10(2)9-11-7-8-12/h3-6,9,11-12H,7-8H2,1-2H3/b4-3-,6-5-,10-9-
InChIKeyQGDBLDAQACDLIL-BNGSOVGLSA-N
MW167.25 g/mol
LogP1.60
Rot. Bonds5

About 2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol

2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol (PubChem CID 88881134) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol
PubChem CID88881134
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol
SMILESC/C=C\C=C/C(C)=C\NCCO
InChIInChI=1S/C10H17NO/c1-3-4-5-6-10(2)9-11-7-8-12/h3-6,9,11-12H,7-8H2,1-2H3/b4-3-,6-5-,10-9-
InChIKeyQGDBLDAQACDLIL-BNGSOVGLSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.60
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'}

Analyze 2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol with MolForge

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Related Compounds

2-[[(3E,5Z)-3-ethenyl-4-fluorohepta-3,5-dienyl]amino]ethanol
CID 142176480
2-[(4-Methylcyclohexa-2,5-dien-1-ylidene)methylamino]ethanol
CID 70667180
2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol
CID 88544382
2-[[(Z)-2-methylidenepent-3-enyl]amino]ethanol
CID 89861478
2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol
CID 90130168
2-[[(4Z)-6-(methylamino)-3-methylidenehepta-1,4,6-trien-2-yl]amino]ethanol
CID 117614804
2-[[4-Methyl-2-(2-methylprop-1-enyl)penta-2,4-dienyl]amino]ethanol
CID 123519994
2-(2-Ethylidenepent-3-enylamino)ethanol
CID 123941674
2-[[(1Z,3Z)-3-ethylpenta-1,3-dienyl]amino]ethanol
CID 129260419
2-[[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]amino]ethanol
CID 129260421
2-[[(3E,5Z)-3-methylocta-3,5-dien-2-yl]amino]ethanol
CID 138703240
ethane;2-[[(3Z,5Z)-3-ethenyl-4-methylhepta-3,5-dienyl]amino]ethanol
CID 142176523

Frequently Asked Questions

What is the IUPAC name of 2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol?
The IUPAC name of 2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol (CID 88881134) is 2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol.
What is the SMILES notation for 2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol?
The canonical SMILES for 2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol is C/C=C\C=C/C(C)=C\NCCO.
What is the InChIKey of 2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol?
The InChIKey is QGDBLDAQACDLIL-BNGSOVGLSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-5-6-10(2)9-11-7-8-12/h3-6,9,11-12H,7-8H2,1-2H3/b4-3-,6-5-,10-9-.
What are the key properties of 2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol?
2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol has a molecular weight of 167.25 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol is sourced from PubChem (CID 88881134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).