2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol

C11H19NO — CID 88544382

IUPAC2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol
SMILESC=C/C(C)=C(C)\C=C/CNCCO
InChIInChI=1S/C11H19NO/c1-4-10(2)11(3)6-5-7-12-8-9-13/h4-6,12-13H,1,7-9H2,2-3H3/b6-5-,11-10-
InChIKeyMLAOVZAPHCUBEL-VIFBMRGNSA-N
MW181.28 g/mol
LogP1.65
Rot. Bonds6

About 2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol

2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol (PubChem CID 88544382) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol
PubChem CID88544382
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol
SMILESC=C/C(C)=C(C)\C=C/CNCCO
InChIInChI=1S/C11H19NO/c1-4-10(2)11(3)6-5-7-12-8-9-13/h4-6,12-13H,1,7-9H2,2-3H3/b6-5-,11-10-
InChIKeyMLAOVZAPHCUBEL-VIFBMRGNSA-N
XLogP1.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.65
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-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol?
The IUPAC name of 2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol (CID 88544382) is 2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol.
What is the SMILES notation for 2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol?
The canonical SMILES for 2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol is C=C/C(C)=C(C)\C=C/CNCCO.
What is the InChIKey of 2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol?
The InChIKey is MLAOVZAPHCUBEL-VIFBMRGNSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-10(2)11(3)6-5-7-12-8-9-13/h4-6,12-13H,1,7-9H2,2-3H3/b6-5-,11-10-.
What are the key properties of 2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol?
2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol has a molecular weight of 181.28 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol is sourced from PubChem (CID 88544382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).