N-(cyclohex-3-en-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C15H25NO — CID 64862758

IUPACN-(cyclohex-3-en-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NCC2CC=CCC2)C2CCOC21
InChIInChI=1S/C15H25NO/c1-15(2)13(12-8-9-17-14(12)15)16-10-11-6-4-3-5-7-11/h3-4,11-14,16H,5-10H2,1-2H3
InChIKeyFUTQLXITYJQIJJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.75
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

N-(cyclohex-3-en-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64862758) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64862758
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C(NCC2CC=CCC2)C2CCOC21
InChIInChI=1S/C15H25NO/c1-15(2)13(12-8-9-17-14(12)15)16-10-11-6-4-3-5-7-11/h3-4,11-14,16H,5-10H2,1-2H3
InChIKeyFUTQLXITYJQIJJ-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclohex-3-en-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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Related Compounds

N-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43225559
N-[2-(oxolan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 61039966
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64851356
N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852160
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64865405
7,7-dimethyl-N-prop-2-enyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872212
N-[2-(cyclohexen-1-yl)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872247
N-(cyclohex-3-en-1-ylmethyl)oxepan-4-amine
CID 65081411
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65169708
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294771
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]cyclohex-3-en-1-amine
CID 65702059
N-cyclohex-3-en-1-yl-3-ethoxyspiro[3.3]heptan-1-amine
CID 65702308

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64862758) is N-(cyclohex-3-en-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C(NCC2CC=CCC2)C2CCOC21.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is FUTQLXITYJQIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-15(2)13(12-8-9-17-14(12)15)16-10-11-6-4-3-5-7-11/h3-4,11-14,16H,5-10H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-(cyclohex-3-en-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 235.37 g/mol, XLogP of 2.75, 3 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-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64862758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).