N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine

C17H31NO — CID 65167892

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCOC1CC(NCCC2=CCCCC2)C1(C)CC
InChIInChI=1S/C17H31NO/c1-4-17(3)15(13-16(17)19-5-2)18-12-11-14-9-7-6-8-10-14/h9,15-16,18H,4-8,10-13H2,1-3H3
InChIKeyDWEYIBWZDVQGBX-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.06
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine

N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine (PubChem CID 65167892) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
PubChem CID65167892
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCOC1CC(NCCC2=CCCCC2)C1(C)CC
InChIInChI=1S/C17H31NO/c1-4-17(3)15(13-16(17)19-5-2)18-12-11-14-9-7-6-8-10-14/h9,15-16,18H,4-8,10-13H2,1-3H3
InChIKeyDWEYIBWZDVQGBX-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.06
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-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine (CID 65167892) is N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine is CCOC1CC(NCCC2=CCCCC2)C1(C)CC.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is DWEYIBWZDVQGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-17(3)15(13-16(17)19-5-2)18-12-11-14-9-7-6-8-10-14/h9,15-16,18H,4-8,10-13H2,1-3H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 65167892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).