[[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol

C10H19NO — CID 20609703

IUPAC[[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol
SMILESC=C(C)CC/C=C(\C)CNCO
InChIInChI=1S/C10H19NO/c1-9(2)5-4-6-10(3)7-11-8-12/h6,11-12H,1,4-5,7-8H2,2-3H3/b10-6+
InChIKeyJQUKUEBKNMACQO-UXBLZVDNSA-N
MW169.27 g/mol
LogP1.83
Rot. Bonds6

About [[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol

[[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol (PubChem CID 20609703) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol.

Molecular Properties

Compound Name[[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol
PubChem CID20609703
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol
SMILESC=C(C)CC/C=C(\C)CNCO
InChIInChI=1S/C10H19NO/c1-9(2)5-4-6-10(3)7-11-8-12/h6,11-12H,1,4-5,7-8H2,2-3H3/b10-6+
InChIKeyJQUKUEBKNMACQO-UXBLZVDNSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol?
The IUPAC name of [[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol (CID 20609703) is [[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol.
What is the SMILES notation for [[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol?
The canonical SMILES for [[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol is C=C(C)CC/C=C(\C)CNCO.
What is the InChIKey of [[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol?
The InChIKey is JQUKUEBKNMACQO-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)5-4-6-10(3)7-11-8-12/h6,11-12H,1,4-5,7-8H2,2-3H3/b10-6+.
What are the key properties of [[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol?
[[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol has a molecular weight of 169.27 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2E)-2,6-dimethylhepta-2,6-dienyl]amino]methanol is sourced from PubChem (CID 20609703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).