1-(cyclohexen-1-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine

C17H33NO — CID 106654526

IUPAC1-(cyclohexen-1-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(C1=CCCCC1)C(OCC)C(C)(C)C
InChIInChI=1S/C17H33NO/c1-6-13-18-15(14-11-9-8-10-12-14)16(19-7-2)17(3,4)5/h11,15-16,18H,6-10,12-13H2,1-5H3
InChIKeyMDIUROPGEXPJCG-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.31
Rot. Bonds7

About 1-(cyclohexen-1-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine

1-(cyclohexen-1-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine (PubChem CID 106654526) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine
PubChem CID106654526
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(cyclohexen-1-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(C1=CCCCC1)C(OCC)C(C)(C)C
InChIInChI=1S/C17H33NO/c1-6-13-18-15(14-11-9-8-10-12-14)16(19-7-2)17(3,4)5/h11,15-16,18H,6-10,12-13H2,1-5H3
InChIKeyMDIUROPGEXPJCG-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.31
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 1-(cyclohexen-1-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine (CID 106654526) is 1-(cyclohexen-1-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine is CCCNC(C1=CCCCC1)C(OCC)C(C)(C)C.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is MDIUROPGEXPJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-6-13-18-15(14-11-9-8-10-12-14)16(19-7-2)17(3,4)5/h11,15-16,18H,6-10,12-13H2,1-5H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine?
1-(cyclohexen-1-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 106654526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).