1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine

C16H31NO — CID 106654559

IUPAC1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C1=CCCCC1)C(C)(CC)OCC
InChIInChI=1S/C16H31NO/c1-5-13-17-15(14-11-9-8-10-12-14)16(4,6-2)18-7-3/h11,15,17H,5-10,12-13H2,1-4H3
InChIKeyQTUWFYKXGOYUGT-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.06
Rot. Bonds8

About 1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine

1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine (PubChem CID 106654559) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
PubChem CID106654559
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C1=CCCCC1)C(C)(CC)OCC
InChIInChI=1S/C16H31NO/c1-5-13-17-15(14-11-9-8-10-12-14)16(4,6-2)18-7-3/h11,15,17H,5-10,12-13H2,1-4H3
InChIKeyQTUWFYKXGOYUGT-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
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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Related Compounds

1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 55195514
1-(cyclohepten-1-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
CID 106653570
1-(cyclohepten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106654542
1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759448
1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106654544
1-(cyclohexen-1-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 62680127
1-(cyclohexen-1-yl)-2-ethoxy-N-propylpropan-1-amine
CID 106653067
N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine
CID 106653818
2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine
CID 116759333
1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759422
2-ethoxy-1-(furan-3-yl)-2-methyl-N-propylbutan-1-amine
CID 116759332
1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 62078170

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine (CID 106654559) is 1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine is CCCNC(C1=CCCCC1)C(C)(CC)OCC.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
The InChIKey is QTUWFYKXGOYUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-13-17-15(14-11-9-8-10-12-14)16(4,6-2)18-7-3/h11,15,17H,5-10,12-13H2,1-4H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 4.06, 8 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-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 106654559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).