N-cyclohex-3-en-1-yloxetan-3-amine;ethane

C13H27NO — CID 145406279

IUPACN-cyclohex-3-en-1-yloxetan-3-amine;ethane
SMILESC1=CCC(NC2COC2)CC1.CC.CC
InChIInChI=1S/C9H15NO.2C2H6/c1-2-4-8(5-3-1)10-9-6-11-7-9;2*1-2/h1-2,8-10H,3-7H2;2*1-2H3
InChIKeyUBUXCWSZNASEFK-UHFFFAOYSA-N
MW213.37 g/mol
LogP3.14
Rot. Bonds2

About N-cyclohex-3-en-1-yloxetan-3-amine;ethane

N-cyclohex-3-en-1-yloxetan-3-amine;ethane (PubChem CID 145406279) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yloxetan-3-amine;ethane.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yloxetan-3-amine;ethane
PubChem CID145406279
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC NameN-cyclohex-3-en-1-yloxetan-3-amine;ethane
SMILESC1=CCC(NC2COC2)CC1.CC.CC
InChIInChI=1S/C9H15NO.2C2H6/c1-2-4-8(5-3-1)10-9-6-11-7-9;2*1-2/h1-2,8-10H,3-7H2;2*1-2H3
InChIKeyUBUXCWSZNASEFK-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 53.14
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 N-cyclohex-3-en-1-yloxetan-3-amine;ethane?
The IUPAC name of N-cyclohex-3-en-1-yloxetan-3-amine;ethane (CID 145406279) is N-cyclohex-3-en-1-yloxetan-3-amine;ethane.
What is the SMILES notation for N-cyclohex-3-en-1-yloxetan-3-amine;ethane?
The canonical SMILES for N-cyclohex-3-en-1-yloxetan-3-amine;ethane is C1=CCC(NC2COC2)CC1.CC.CC.
What is the InChIKey of N-cyclohex-3-en-1-yloxetan-3-amine;ethane?
The InChIKey is UBUXCWSZNASEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.2C2H6/c1-2-4-8(5-3-1)10-9-6-11-7-9;2*1-2/h1-2,8-10H,3-7H2;2*1-2H3.
What are the key properties of N-cyclohex-3-en-1-yloxetan-3-amine;ethane?
N-cyclohex-3-en-1-yloxetan-3-amine;ethane has a molecular weight of 213.37 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yloxetan-3-amine;ethane is sourced from PubChem (CID 145406279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).