(Z)-3-methyl-2-methyliminohex-3-en-1-ol

C8H15NO — CID 171620138

IUPAC(Z)-3-methyl-2-methyliminohex-3-en-1-ol
SMILESCC/C=C(C)\C(CO)=N\C
InChIInChI=1S/C8H15NO/c1-4-5-7(2)8(6-10)9-3/h5,10H,4,6H2,1-3H3/b7-5-,9-8+
InChIKeyPLADCWVOXHPWIW-SUHGFZJFSA-N
MW141.21 g/mol
LogP1.41
Rot. Bonds3

About (Z)-3-methyl-2-methyliminohex-3-en-1-ol

(Z)-3-methyl-2-methyliminohex-3-en-1-ol (PubChem CID 171620138) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (Z)-3-methyl-2-methyliminohex-3-en-1-ol.

Molecular Properties

Compound Name(Z)-3-methyl-2-methyliminohex-3-en-1-ol
PubChem CID171620138
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(Z)-3-methyl-2-methyliminohex-3-en-1-ol
SMILESCC/C=C(C)\C(CO)=N\C
InChIInChI=1S/C8H15NO/c1-4-5-7(2)8(6-10)9-3/h5,10H,4,6H2,1-3H3/b7-5-,9-8+
InChIKeyPLADCWVOXHPWIW-SUHGFZJFSA-N
XLogP1.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-2-methyliminohex-3-en-1-ol?
The IUPAC name of (Z)-3-methyl-2-methyliminohex-3-en-1-ol (CID 171620138) is (Z)-3-methyl-2-methyliminohex-3-en-1-ol.
What is the SMILES notation for (Z)-3-methyl-2-methyliminohex-3-en-1-ol?
The canonical SMILES for (Z)-3-methyl-2-methyliminohex-3-en-1-ol is CC/C=C(C)\C(CO)=N\C.
What is the InChIKey of (Z)-3-methyl-2-methyliminohex-3-en-1-ol?
The InChIKey is PLADCWVOXHPWIW-SUHGFZJFSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-7(2)8(6-10)9-3/h5,10H,4,6H2,1-3H3/b7-5-,9-8+.
What are the key properties of (Z)-3-methyl-2-methyliminohex-3-en-1-ol?
(Z)-3-methyl-2-methyliminohex-3-en-1-ol has a molecular weight of 141.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2-methyliminohex-3-en-1-ol is sourced from PubChem (CID 171620138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).