2-methyl-3-methyliminocyclopentan-1-ol

C7H13NO — CID 123648806

IUPAC2-methyl-3-methyliminocyclopentan-1-ol
SMILESC/N=C1\CCC(O)C1C
InChIInChI=1S/C7H13NO/c1-5-6(8-2)3-4-7(5)9/h5,7,9H,3-4H2,1-2H3/b8-6+
InChIKeyOZLHEMPIBMKSGL-SOFGYWHQSA-N
MW127.19 g/mol
LogP0.85
Rot. Bonds

About 2-methyl-3-methyliminocyclopentan-1-ol

2-methyl-3-methyliminocyclopentan-1-ol (PubChem CID 123648806) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methyl-3-methyliminocyclopentan-1-ol.

Molecular Properties

Compound Name2-methyl-3-methyliminocyclopentan-1-ol
PubChem CID123648806
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methyl-3-methyliminocyclopentan-1-ol
SMILESC/N=C1\CCC(O)C1C
InChIInChI=1S/C7H13NO/c1-5-6(8-2)3-4-7(5)9/h5,7,9H,3-4H2,1-2H3/b8-6+
InChIKeyOZLHEMPIBMKSGL-SOFGYWHQSA-N
XLogP0.85
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Imino-2-methylcyclopentan-1-ol
CID 123864091
5-Methyl-6-methyliminoheptan-2-ol
CID 130222382
(2S)-2-(3-methyliminobutan-2-yl)cyclopropan-1-ol
CID 142076978
(3R)-3-methyl-2-methyliminocyclopentan-1-ol
CID 163792952
ethane;(2R,3R)-3-methyl-4-methyliminohexan-2-ol
CID 171517742
(1R)-2-(methyliminomethyl)cyclopentan-1-ol
CID 174340923
(2R,3R)-3-methyl-4-methyliminohexan-2-ol
CID 171517743

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methyliminocyclopentan-1-ol?
The IUPAC name of 2-methyl-3-methyliminocyclopentan-1-ol (CID 123648806) is 2-methyl-3-methyliminocyclopentan-1-ol.
What is the SMILES notation for 2-methyl-3-methyliminocyclopentan-1-ol?
The canonical SMILES for 2-methyl-3-methyliminocyclopentan-1-ol is C/N=C1\CCC(O)C1C.
What is the InChIKey of 2-methyl-3-methyliminocyclopentan-1-ol?
The InChIKey is OZLHEMPIBMKSGL-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-6(8-2)3-4-7(5)9/h5,7,9H,3-4H2,1-2H3/b8-6+.
What are the key properties of 2-methyl-3-methyliminocyclopentan-1-ol?
2-methyl-3-methyliminocyclopentan-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methyliminocyclopentan-1-ol is sourced from PubChem (CID 123648806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).