2-[methyl-[(2E)-penta-2,4-dien-2-yl]amino]ethanol

C8H15NO — CID 139315194

IUPAC2-[methyl-[(2E)-penta-2,4-dien-2-yl]amino]ethanol
SMILESC=C/C=C(\C)N(C)CCO
InChIInChI=1S/C8H15NO/c1-4-5-8(2)9(3)6-7-10/h4-5,10H,1,6-7H2,2-3H3/b8-5+
InChIKeyXKUBYMHJZDTYTQ-VMPITWQZSA-N
MW141.21 g/mol
LogP1.00
Rot. Bonds4

About 2-[methyl-[(2E)-penta-2,4-dien-2-yl]amino]ethanol

2-[methyl-[(2E)-penta-2,4-dien-2-yl]amino]ethanol (PubChem CID 139315194) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-[methyl-[(2E)-penta-2,4-dien-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[(2E)-penta-2,4-dien-2-yl]amino]ethanol
PubChem CID139315194
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-[methyl-[(2E)-penta-2,4-dien-2-yl]amino]ethanol
SMILESC=C/C=C(\C)N(C)CCO
InChIInChI=1S/C8H15NO/c1-4-5-8(2)9(3)6-7-10/h4-5,10H,1,6-7H2,2-3H3/b8-5+
InChIKeyXKUBYMHJZDTYTQ-VMPITWQZSA-N
XLogP1.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[methyl-[(2E)-penta-2,4-dien-2-yl]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-[methyl-[(2E)-penta-2,4-dien-2-yl]amino]ethanol?
The IUPAC name of 2-[methyl-[(2E)-penta-2,4-dien-2-yl]amino]ethanol (CID 139315194) is 2-[methyl-[(2E)-penta-2,4-dien-2-yl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[(2E)-penta-2,4-dien-2-yl]amino]ethanol?
The canonical SMILES for 2-[methyl-[(2E)-penta-2,4-dien-2-yl]amino]ethanol is C=C/C=C(\C)N(C)CCO.
What is the InChIKey of 2-[methyl-[(2E)-penta-2,4-dien-2-yl]amino]ethanol?
The InChIKey is XKUBYMHJZDTYTQ-VMPITWQZSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-8(2)9(3)6-7-10/h4-5,10H,1,6-7H2,2-3H3/b8-5+.
What are the key properties of 2-[methyl-[(2E)-penta-2,4-dien-2-yl]amino]ethanol?
2-[methyl-[(2E)-penta-2,4-dien-2-yl]amino]ethanol has a molecular weight of 141.21 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2E)-penta-2,4-dien-2-yl]amino]ethanol is sourced from PubChem (CID 139315194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).