methanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine

C14H26N2O — CID 177317182

IUPACmethanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
SMILESCC1=CCC(NC2CC3(COC3)C2)CC1.CN
InChIInChI=1S/C13H21NO.CH5N/c1-10-2-4-11(5-3-10)14-12-6-13(7-12)8-15-9-13;1-2/h2,11-12,14H,3-9H2,1H3;2H2,1H3
InChIKeyBGSIGCDSSURZFK-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.83
Rot. Bonds2

About methanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine

methanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine (PubChem CID 177317182) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is methanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine.

Molecular Properties

Compound Namemethanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
PubChem CID177317182
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Namemethanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
SMILESCC1=CCC(NC2CC3(COC3)C2)CC1.CN
InChIInChI=1S/C13H21NO.CH5N/c1-10-2-4-11(5-3-10)14-12-6-13(7-12)8-15-9-13;1-2/h2,11-12,14H,3-9H2,1H3;2H2,1H3
InChIKeyBGSIGCDSSURZFK-UHFFFAOYSA-N
XLogP1.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylcyclohex-3-en-1-yl)-N-methyl-2-oxaspiro[3.3]heptan-6-amine
CID 177265342
N-(4-tert-butylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
CID 177265358
N-(3-tert-butylcyclohex-2-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
CID 177265546
ethane;N-methyl-N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
CID 177317114
Ethane;1-methylcyclohexene;2-oxaspiro[3.3]heptan-6-amine
CID 177317232
1-N-methyl-4-N-(2-oxaspiro[3.3]heptan-6-yl)cyclohexene-1,4-diamine
CID 177317402
1-N-methyl-3-N-(2-oxaspiro[3.3]heptan-6-yl)cyclohexene-1,3-diamine
CID 177317693
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64850524
N-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 113352244
N-methyl-N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
CID 177317115
N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
CID 177317183

Frequently Asked Questions

What is the IUPAC name of methanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine?
The IUPAC name of methanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine (CID 177317182) is methanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine.
What is the SMILES notation for methanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine?
The canonical SMILES for methanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine is CC1=CCC(NC2CC3(COC3)C2)CC1.CN.
What is the InChIKey of methanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine?
The InChIKey is BGSIGCDSSURZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.CH5N/c1-10-2-4-11(5-3-10)14-12-6-13(7-12)8-15-9-13;1-2/h2,11-12,14H,3-9H2,1H3;2H2,1H3.
What are the key properties of methanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine?
methanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine has a molecular weight of 238.37 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine is sourced from PubChem (CID 177317182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).