(Z)-3-[1,3-dimethyl-3-(methylaminomethyl)cyclopentyl]-2-methylprop-1-en-1-ol

C13H25NO — CID 71157139

IUPAC(Z)-3-[1,3-dimethyl-3-(methylaminomethyl)cyclopentyl]-2-methylprop-1-en-1-ol
SMILESCNCC1(C)CCC(C)(C/C(C)=C\O)C1
InChIInChI=1S/C13H25NO/c1-11(8-15)7-12(2)5-6-13(3,9-12)10-14-4/h8,14-15H,5-7,9-10H2,1-4H3/b11-8-
InChIKeyZZVWGIRYNYUTNG-FLIBITNWSA-N
MW211.35 g/mol
LogP3.25
Rot. Bonds4

About (Z)-3-[1,3-dimethyl-3-(methylaminomethyl)cyclopentyl]-2-methylprop-1-en-1-ol

(Z)-3-[1,3-dimethyl-3-(methylaminomethyl)cyclopentyl]-2-methylprop-1-en-1-ol (PubChem CID 71157139) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (Z)-3-[1,3-dimethyl-3-(methylaminomethyl)cyclopentyl]-2-methylprop-1-en-1-ol.

Molecular Properties

Compound Name(Z)-3-[1,3-dimethyl-3-(methylaminomethyl)cyclopentyl]-2-methylprop-1-en-1-ol
PubChem CID71157139
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(Z)-3-[1,3-dimethyl-3-(methylaminomethyl)cyclopentyl]-2-methylprop-1-en-1-ol
SMILESCNCC1(C)CCC(C)(C/C(C)=C\O)C1
InChIInChI=1S/C13H25NO/c1-11(8-15)7-12(2)5-6-13(3,9-12)10-14-4/h8,14-15H,5-7,9-10H2,1-4H3/b11-8-
InChIKeyZZVWGIRYNYUTNG-FLIBITNWSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[1,3-dimethyl-3-(methylaminomethyl)cyclopentyl]-2-methylprop-1-en-1-ol?
The IUPAC name of (Z)-3-[1,3-dimethyl-3-(methylaminomethyl)cyclopentyl]-2-methylprop-1-en-1-ol (CID 71157139) is (Z)-3-[1,3-dimethyl-3-(methylaminomethyl)cyclopentyl]-2-methylprop-1-en-1-ol.
What is the SMILES notation for (Z)-3-[1,3-dimethyl-3-(methylaminomethyl)cyclopentyl]-2-methylprop-1-en-1-ol?
The canonical SMILES for (Z)-3-[1,3-dimethyl-3-(methylaminomethyl)cyclopentyl]-2-methylprop-1-en-1-ol is CNCC1(C)CCC(C)(C/C(C)=C\O)C1.
What is the InChIKey of (Z)-3-[1,3-dimethyl-3-(methylaminomethyl)cyclopentyl]-2-methylprop-1-en-1-ol?
The InChIKey is ZZVWGIRYNYUTNG-FLIBITNWSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(8-15)7-12(2)5-6-13(3,9-12)10-14-4/h8,14-15H,5-7,9-10H2,1-4H3/b11-8-.
What are the key properties of (Z)-3-[1,3-dimethyl-3-(methylaminomethyl)cyclopentyl]-2-methylprop-1-en-1-ol?
(Z)-3-[1,3-dimethyl-3-(methylaminomethyl)cyclopentyl]-2-methylprop-1-en-1-ol has a molecular weight of 211.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[1,3-dimethyl-3-(methylaminomethyl)cyclopentyl]-2-methylprop-1-en-1-ol is sourced from PubChem (CID 71157139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).