1-methyl-4-[2-(methylideneamino)propan-2-yl]cyclohexan-1-ol

C11H21NO — CID 134188896

IUPAC1-methyl-4-[2-(methylideneamino)propan-2-yl]cyclohexan-1-ol
SMILESC=NC(C)(C)C1CCC(C)(O)CC1
InChIInChI=1S/C11H21NO/c1-10(2,12-4)9-5-7-11(3,13)8-6-9/h9,13H,4-8H2,1-3H3
InChIKeyHDBGNKQVAYELFK-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.41
Rot. Bonds2

About 1-methyl-4-[2-(methylideneamino)propan-2-yl]cyclohexan-1-ol

1-methyl-4-[2-(methylideneamino)propan-2-yl]cyclohexan-1-ol (PubChem CID 134188896) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-methyl-4-[2-(methylideneamino)propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-methyl-4-[2-(methylideneamino)propan-2-yl]cyclohexan-1-ol
PubChem CID134188896
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-methyl-4-[2-(methylideneamino)propan-2-yl]cyclohexan-1-ol
SMILESC=NC(C)(C)C1CCC(C)(O)CC1
InChIInChI=1S/C11H21NO/c1-10(2,12-4)9-5-7-11(3,13)8-6-9/h9,13H,4-8H2,1-3H3
InChIKeyHDBGNKQVAYELFK-UHFFFAOYSA-N
XLogP2.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.41
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 1-methyl-4-[2-(methylideneamino)propan-2-yl]cyclohexan-1-ol?
The IUPAC name of 1-methyl-4-[2-(methylideneamino)propan-2-yl]cyclohexan-1-ol (CID 134188896) is 1-methyl-4-[2-(methylideneamino)propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-methyl-4-[2-(methylideneamino)propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 1-methyl-4-[2-(methylideneamino)propan-2-yl]cyclohexan-1-ol is C=NC(C)(C)C1CCC(C)(O)CC1.
What is the InChIKey of 1-methyl-4-[2-(methylideneamino)propan-2-yl]cyclohexan-1-ol?
The InChIKey is HDBGNKQVAYELFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2,12-4)9-5-7-11(3,13)8-6-9/h9,13H,4-8H2,1-3H3.
What are the key properties of 1-methyl-4-[2-(methylideneamino)propan-2-yl]cyclohexan-1-ol?
1-methyl-4-[2-(methylideneamino)propan-2-yl]cyclohexan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(methylideneamino)propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 134188896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).