1-(cyclohexen-1-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine

C14H27NO — CID 106654535

IUPAC1-(cyclohexen-1-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(C1=CCCCC1)C(C)(C)OCC
InChIInChI=1S/C14H27NO/c1-5-15-13(14(3,4)16-6-2)12-10-8-7-9-11-12/h10,13,15H,5-9,11H2,1-4H3
InChIKeyAMNNWPDFEJQYRD-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds6

About 1-(cyclohexen-1-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine

1-(cyclohexen-1-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine (PubChem CID 106654535) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
PubChem CID106654535
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(cyclohexen-1-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine
SMILESCCNC(C1=CCCCC1)C(C)(C)OCC
InChIInChI=1S/C14H27NO/c1-5-15-13(14(3,4)16-6-2)12-10-8-7-9-11-12/h10,13,15H,5-9,11H2,1-4H3
InChIKeyAMNNWPDFEJQYRD-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.28
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-(cyclohexen-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207501
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207503
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654847
N-[1-(cyclohexen-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
CID 106654850
3-[2-(Cyclohexen-1-yl)-2-fluoropropyl]morpholine
CID 106655073
3-[2-(Cyclohepten-1-yl)-2-fluoropropyl]morpholine
CID 106655074
N-[1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 113788173
3-[2-(Cycloocten-1-yl)-2-fluoropropyl]morpholine
CID 113860683
3,3-Di(cyclohexen-1-yl)morpholine
CID 57287098
3-cyclopenta-2,4-dien-1-yl-6-methoxy-N-methylcyclohex-2-en-1-amine
CID 141424891
3-tert-butyl-N-(2-methoxyethyl)cyclohex-2-en-1-amine
CID 177265623
N-[cyclohexen-1-yl(oxan-2-yl)methyl]propan-1-amine
CID 55048190

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine (CID 106654535) is 1-(cyclohexen-1-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine is CCNC(C1=CCCCC1)C(C)(C)OCC.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine?
The InChIKey is AMNNWPDFEJQYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-15-13(14(3,4)16-6-2)12-10-8-7-9-11-12/h10,13,15H,5-9,11H2,1-4H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine?
1-(cyclohexen-1-yl)-2-ethoxy-N-ethyl-2-methylpropan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 6 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-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 106654535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).