2-[(pentan-2-ylideneamino)methyl]cyclohexan-1-ol

C12H23NO — CID 91273835

IUPAC2-[(pentan-2-ylideneamino)methyl]cyclohexan-1-ol
SMILESCCC/C(C)=N/CC1CCCCC1O
InChIInChI=1S/C12H23NO/c1-3-6-10(2)13-9-11-7-4-5-8-12(11)14/h11-12,14H,3-9H2,1-2H3/b13-10+
InChIKeyXXMSOEBHYARLNQ-JLHYYAGUSA-N
MW197.32 g/mol
LogP2.80
Rot. Bonds4

About 2-[(pentan-2-ylideneamino)methyl]cyclohexan-1-ol

2-[(pentan-2-ylideneamino)methyl]cyclohexan-1-ol (PubChem CID 91273835) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[(pentan-2-ylideneamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(pentan-2-ylideneamino)methyl]cyclohexan-1-ol
PubChem CID91273835
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[(pentan-2-ylideneamino)methyl]cyclohexan-1-ol
SMILESCCC/C(C)=N/CC1CCCCC1O
InChIInChI=1S/C12H23NO/c1-3-6-10(2)13-9-11-7-4-5-8-12(11)14/h11-12,14H,3-9H2,1-2H3/b13-10+
InChIKeyXXMSOEBHYARLNQ-JLHYYAGUSA-N
XLogP2.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.80
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 2-[(pentan-2-ylideneamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(pentan-2-ylideneamino)methyl]cyclohexan-1-ol (CID 91273835) is 2-[(pentan-2-ylideneamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(pentan-2-ylideneamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(pentan-2-ylideneamino)methyl]cyclohexan-1-ol is CCC/C(C)=N/CC1CCCCC1O.
What is the InChIKey of 2-[(pentan-2-ylideneamino)methyl]cyclohexan-1-ol?
The InChIKey is XXMSOEBHYARLNQ-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-6-10(2)13-9-11-7-4-5-8-12(11)14/h11-12,14H,3-9H2,1-2H3/b13-10+.
What are the key properties of 2-[(pentan-2-ylideneamino)methyl]cyclohexan-1-ol?
2-[(pentan-2-ylideneamino)methyl]cyclohexan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(pentan-2-ylideneamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 91273835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).