[[(E)-7-methyl-6-methylidenenon-2-en-3-yl]amino]methanol

C12H23NO — CID 89073867

IUPAC[[(E)-7-methyl-6-methylidenenon-2-en-3-yl]amino]methanol
SMILESC=C(CC/C(=C\C)NCO)C(C)CC
InChIInChI=1S/C12H23NO/c1-5-10(3)11(4)7-8-12(6-2)13-9-14/h6,10,13-14H,4-5,7-9H2,1-3H3/b12-6+
InChIKeyMIWHLETUEVGCKT-WUXMJOGZSA-N
MW197.32 g/mol
LogP2.81
Rot. Bonds7

About [[(E)-7-methyl-6-methylidenenon-2-en-3-yl]amino]methanol

[[(E)-7-methyl-6-methylidenenon-2-en-3-yl]amino]methanol (PubChem CID 89073867) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [[(E)-7-methyl-6-methylidenenon-2-en-3-yl]amino]methanol.

Molecular Properties

Compound Name[[(E)-7-methyl-6-methylidenenon-2-en-3-yl]amino]methanol
PubChem CID89073867
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[[(E)-7-methyl-6-methylidenenon-2-en-3-yl]amino]methanol
SMILESC=C(CC/C(=C\C)NCO)C(C)CC
InChIInChI=1S/C12H23NO/c1-5-10(3)11(4)7-8-12(6-2)13-9-14/h6,10,13-14H,4-5,7-9H2,1-3H3/b12-6+
InChIKeyMIWHLETUEVGCKT-WUXMJOGZSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.81
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 [[(E)-7-methyl-6-methylidenenon-2-en-3-yl]amino]methanol?
The IUPAC name of [[(E)-7-methyl-6-methylidenenon-2-en-3-yl]amino]methanol (CID 89073867) is [[(E)-7-methyl-6-methylidenenon-2-en-3-yl]amino]methanol.
What is the SMILES notation for [[(E)-7-methyl-6-methylidenenon-2-en-3-yl]amino]methanol?
The canonical SMILES for [[(E)-7-methyl-6-methylidenenon-2-en-3-yl]amino]methanol is C=C(CC/C(=C\C)NCO)C(C)CC.
What is the InChIKey of [[(E)-7-methyl-6-methylidenenon-2-en-3-yl]amino]methanol?
The InChIKey is MIWHLETUEVGCKT-WUXMJOGZSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-10(3)11(4)7-8-12(6-2)13-9-14/h6,10,13-14H,4-5,7-9H2,1-3H3/b12-6+.
What are the key properties of [[(E)-7-methyl-6-methylidenenon-2-en-3-yl]amino]methanol?
[[(E)-7-methyl-6-methylidenenon-2-en-3-yl]amino]methanol has a molecular weight of 197.32 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-7-methyl-6-methylidenenon-2-en-3-yl]amino]methanol is sourced from PubChem (CID 89073867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).