ethane;1-methylcyclohexene;2-oxaspiro[3.3]heptan-6-amine

C15H29NO — CID 177317232

IUPACethane;1-methylcyclohexene;2-oxaspiro[3.3]heptan-6-amine
SMILESCC.CC1=CCCCC1.NC1CC2(COC2)C1
InChIInChI=1S/C7H12.C6H11NO.C2H6/c1-7-5-3-2-4-6-7;7-5-1-6(2-5)3-8-4-6;1-2/h5H,2-4,6H2,1H3;5H,1-4,7H2;1-2H3
InChIKeyLMMGZUNMJYHHQH-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.66
Rot. Bonds

About ethane;1-methylcyclohexene;2-oxaspiro[3.3]heptan-6-amine

ethane;1-methylcyclohexene;2-oxaspiro[3.3]heptan-6-amine (PubChem CID 177317232) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is ethane;1-methylcyclohexene;2-oxaspiro[3.3]heptan-6-amine.

Molecular Properties

Compound Nameethane;1-methylcyclohexene;2-oxaspiro[3.3]heptan-6-amine
PubChem CID177317232
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Nameethane;1-methylcyclohexene;2-oxaspiro[3.3]heptan-6-amine
SMILESCC.CC1=CCCCC1.NC1CC2(COC2)C1
InChIInChI=1S/C7H12.C6H11NO.C2H6/c1-7-5-3-2-4-6-7;7-5-1-6(2-5)3-8-4-6;1-2/h5H,2-4,6H2,1H3;5H,1-4,7H2;1-2H3
InChIKeyLMMGZUNMJYHHQH-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-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
methanamine;N-(4-methylcyclohex-3-en-1-yl)-2-oxaspiro[3.3]heptan-6-amine
CID 177317182
3-[[1-(Methoxymethyl)cyclobutyl]methylidene]cyclobutan-1-amine
CID 130601944
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 ethane;1-methylcyclohexene;2-oxaspiro[3.3]heptan-6-amine?
The IUPAC name of ethane;1-methylcyclohexene;2-oxaspiro[3.3]heptan-6-amine (CID 177317232) is ethane;1-methylcyclohexene;2-oxaspiro[3.3]heptan-6-amine.
What is the SMILES notation for ethane;1-methylcyclohexene;2-oxaspiro[3.3]heptan-6-amine?
The canonical SMILES for ethane;1-methylcyclohexene;2-oxaspiro[3.3]heptan-6-amine is CC.CC1=CCCCC1.NC1CC2(COC2)C1.
What is the InChIKey of ethane;1-methylcyclohexene;2-oxaspiro[3.3]heptan-6-amine?
The InChIKey is LMMGZUNMJYHHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C6H11NO.C2H6/c1-7-5-3-2-4-6-7;7-5-1-6(2-5)3-8-4-6;1-2/h5H,2-4,6H2,1H3;5H,1-4,7H2;1-2H3.
What are the key properties of ethane;1-methylcyclohexene;2-oxaspiro[3.3]heptan-6-amine?
ethane;1-methylcyclohexene;2-oxaspiro[3.3]heptan-6-amine has a molecular weight of 239.40 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylcyclohexene;2-oxaspiro[3.3]heptan-6-amine is sourced from PubChem (CID 177317232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).