2-[[(E)-3-(methylideneamino)-2-propan-2-yloxyprop-2-enylidene]amino]ethanol

C9H16N2O2 — CID 167450368

IUPAC2-[[(E)-3-(methylideneamino)-2-propan-2-yloxyprop-2-enylidene]amino]ethanol
SMILESC=N/C=C(\C=N\CCO)OC(C)C
InChIInChI=1S/C9H16N2O2/c1-8(2)13-9(6-10-3)7-11-4-5-12/h6-8,12H,3-5H2,1-2H3/b9-6+,11-7+
InChIKeyKVZHFCJMUSPYTG-QHAIXMIYSA-N
MW184.24 g/mol
LogP1.02
Rot. Bonds6

About 2-[[(E)-3-(methylideneamino)-2-propan-2-yloxyprop-2-enylidene]amino]ethanol

2-[[(E)-3-(methylideneamino)-2-propan-2-yloxyprop-2-enylidene]amino]ethanol (PubChem CID 167450368) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-[[(E)-3-(methylideneamino)-2-propan-2-yloxyprop-2-enylidene]amino]ethanol.

Molecular Properties

Compound Name2-[[(E)-3-(methylideneamino)-2-propan-2-yloxyprop-2-enylidene]amino]ethanol
PubChem CID167450368
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-[[(E)-3-(methylideneamino)-2-propan-2-yloxyprop-2-enylidene]amino]ethanol
SMILESC=N/C=C(\C=N\CCO)OC(C)C
InChIInChI=1S/C9H16N2O2/c1-8(2)13-9(6-10-3)7-11-4-5-12/h6-8,12H,3-5H2,1-2H3/b9-6+,11-7+
InChIKeyKVZHFCJMUSPYTG-QHAIXMIYSA-N
XLogP1.02
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(methylideneamino)-2-propan-2-yloxyprop-2-enylidene]amino]ethanol?
The IUPAC name of 2-[[(E)-3-(methylideneamino)-2-propan-2-yloxyprop-2-enylidene]amino]ethanol (CID 167450368) is 2-[[(E)-3-(methylideneamino)-2-propan-2-yloxyprop-2-enylidene]amino]ethanol.
What is the SMILES notation for 2-[[(E)-3-(methylideneamino)-2-propan-2-yloxyprop-2-enylidene]amino]ethanol?
The canonical SMILES for 2-[[(E)-3-(methylideneamino)-2-propan-2-yloxyprop-2-enylidene]amino]ethanol is C=N/C=C(\C=N\CCO)OC(C)C.
What is the InChIKey of 2-[[(E)-3-(methylideneamino)-2-propan-2-yloxyprop-2-enylidene]amino]ethanol?
The InChIKey is KVZHFCJMUSPYTG-QHAIXMIYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-8(2)13-9(6-10-3)7-11-4-5-12/h6-8,12H,3-5H2,1-2H3/b9-6+,11-7+.
What are the key properties of 2-[[(E)-3-(methylideneamino)-2-propan-2-yloxyprop-2-enylidene]amino]ethanol?
2-[[(E)-3-(methylideneamino)-2-propan-2-yloxyprop-2-enylidene]amino]ethanol has a molecular weight of 184.24 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(methylideneamino)-2-propan-2-yloxyprop-2-enylidene]amino]ethanol is sourced from PubChem (CID 167450368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).