(3Z)-3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclohexan-1-amine

C13H23NO — CID 116525441

IUPAC(3Z)-3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclohexan-1-amine
SMILESCC1(C)CCC(/C=C2/CCCC(N)C2)O1
InChIInChI=1S/C13H23NO/c1-13(2)7-6-12(15-13)9-10-4-3-5-11(14)8-10/h9,11-12H,3-8,14H2,1-2H3/b10-9-
InChIKeyLGKDKZDOOOKGDE-KTKRTIGZSA-N
MW209.33 g/mol
LogP2.77
Rot. Bonds1

About (3Z)-3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclohexan-1-amine

(3Z)-3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclohexan-1-amine (PubChem CID 116525441) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (3Z)-3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclohexan-1-amine.

Molecular Properties

Compound Name(3Z)-3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclohexan-1-amine
PubChem CID116525441
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(3Z)-3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclohexan-1-amine
SMILESCC1(C)CCC(/C=C2/CCCC(N)C2)O1
InChIInChI=1S/C13H23NO/c1-13(2)7-6-12(15-13)9-10-4-3-5-11(14)8-10/h9,11-12H,3-8,14H2,1-2H3/b10-9-
InChIKeyLGKDKZDOOOKGDE-KTKRTIGZSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclohexan-1-amine?
The IUPAC name of (3Z)-3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclohexan-1-amine (CID 116525441) is (3Z)-3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclohexan-1-amine.
What is the SMILES notation for (3Z)-3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclohexan-1-amine?
The canonical SMILES for (3Z)-3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclohexan-1-amine is CC1(C)CCC(/C=C2/CCCC(N)C2)O1.
What is the InChIKey of (3Z)-3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclohexan-1-amine?
The InChIKey is LGKDKZDOOOKGDE-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H23NO/c1-13(2)7-6-12(15-13)9-10-4-3-5-11(14)8-10/h9,11-12H,3-8,14H2,1-2H3/b10-9-.
What are the key properties of (3Z)-3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclohexan-1-amine?
(3Z)-3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclohexan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5,5-dimethyloxolan-2-yl)methylidene]cyclohexan-1-amine is sourced from PubChem (CID 116525441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).