2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol

C14H27NO — CID 13492931

IUPAC2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol
SMILESCC(C)=CCC/C(C)=C/CNC(C)(C)CO
InChIInChI=1S/C14H27NO/c1-12(2)7-6-8-13(3)9-10-15-14(4,5)11-16/h7,9,15-16H,6,8,10-11H2,1-5H3/b13-9+
InChIKeySTGKYZNLYIWNAA-UKTHLTGXSA-N
MW225.38 g/mol
LogP3.04
Rot. Bonds7

About 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol

2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol (PubChem CID 13492931) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol
PubChem CID13492931
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol
SMILESCC(C)=CCC/C(C)=C/CNC(C)(C)CO
InChIInChI=1S/C14H27NO/c1-12(2)7-6-8-13(3)9-10-15-14(4,5)11-16/h7,9,15-16H,6,8,10-11H2,1-5H3/b13-9+
InChIKeySTGKYZNLYIWNAA-UKTHLTGXSA-N
XLogP3.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol (CID 13492931) is 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol is CC(C)=CCC/C(C)=C/CNC(C)(C)CO.
What is the InChIKey of 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol?
The InChIKey is STGKYZNLYIWNAA-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)7-6-8-13(3)9-10-15-14(4,5)11-16/h7,9,15-16H,6,8,10-11H2,1-5H3/b13-9+.
What are the key properties of 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol?
2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 13492931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).