N-cyclohex-3-en-1-yl-N-methyloxetan-3-amine;ethane

C14H29NO — CID 145406693

IUPACN-cyclohex-3-en-1-yl-N-methyloxetan-3-amine;ethane
SMILESCC.CC.CN(C1CC=CCC1)C1COC1
InChIInChI=1S/C10H17NO.2C2H6/c1-11(10-7-12-8-10)9-5-3-2-4-6-9;2*1-2/h2-3,9-10H,4-8H2,1H3;2*1-2H3
InChIKeyGNTFTORVCFCBBC-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.48
Rot. Bonds2

About N-cyclohex-3-en-1-yl-N-methyloxetan-3-amine;ethane

N-cyclohex-3-en-1-yl-N-methyloxetan-3-amine;ethane (PubChem CID 145406693) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-N-methyloxetan-3-amine;ethane.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-N-methyloxetan-3-amine;ethane
PubChem CID145406693
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-cyclohex-3-en-1-yl-N-methyloxetan-3-amine;ethane
SMILESCC.CC.CN(C1CC=CCC1)C1COC1
InChIInChI=1S/C10H17NO.2C2H6/c1-11(10-7-12-8-10)9-5-3-2-4-6-9;2*1-2/h2-3,9-10H,4-8H2,1H3;2*1-2H3
InChIKeyGNTFTORVCFCBBC-UHFFFAOYSA-N
XLogP3.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
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-yl-N-methyloxetan-3-amine;ethane?
The IUPAC name of N-cyclohex-3-en-1-yl-N-methyloxetan-3-amine;ethane (CID 145406693) is N-cyclohex-3-en-1-yl-N-methyloxetan-3-amine;ethane.
What is the SMILES notation for N-cyclohex-3-en-1-yl-N-methyloxetan-3-amine;ethane?
The canonical SMILES for N-cyclohex-3-en-1-yl-N-methyloxetan-3-amine;ethane is CC.CC.CN(C1CC=CCC1)C1COC1.
What is the InChIKey of N-cyclohex-3-en-1-yl-N-methyloxetan-3-amine;ethane?
The InChIKey is GNTFTORVCFCBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.2C2H6/c1-11(10-7-12-8-10)9-5-3-2-4-6-9;2*1-2/h2-3,9-10H,4-8H2,1H3;2*1-2H3.
What are the key properties of N-cyclohex-3-en-1-yl-N-methyloxetan-3-amine;ethane?
N-cyclohex-3-en-1-yl-N-methyloxetan-3-amine;ethane has a molecular weight of 227.39 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-N-methyloxetan-3-amine;ethane is sourced from PubChem (CID 145406693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).