1-(cyclohexen-1-yl)-2-cyclopropyl-2-ethoxyethanamine

C13H23NO — CID 106654499

IUPAC1-(cyclohexen-1-yl)-2-cyclopropyl-2-ethoxyethanamine
SMILESCCOC(C1CC1)C(N)C1=CCCCC1
InChIInChI=1S/C13H23NO/c1-2-15-13(11-8-9-11)12(14)10-6-4-3-5-7-10/h6,11-13H,2-5,7-9,14H2,1H3
InChIKeySNHFVJKBKCHZLA-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.63
Rot. Bonds5

About 1-(cyclohexen-1-yl)-2-cyclopropyl-2-ethoxyethanamine

1-(cyclohexen-1-yl)-2-cyclopropyl-2-ethoxyethanamine (PubChem CID 106654499) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-cyclopropyl-2-ethoxyethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-cyclopropyl-2-ethoxyethanamine
PubChem CID106654499
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(cyclohexen-1-yl)-2-cyclopropyl-2-ethoxyethanamine
SMILESCCOC(C1CC1)C(N)C1=CCCCC1
InChIInChI=1S/C13H23NO/c1-2-15-13(11-8-9-11)12(14)10-6-4-3-5-7-10/h6,11-13H,2-5,7-9,14H2,1H3
InChIKeySNHFVJKBKCHZLA-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.63
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-(cycloocten-1-yl)-2-cyclopropyl-2-ethoxyethyl]hydrazine
CID 106649582
1-(cyclohepten-1-yl)-2,2-diethoxyethanamine
CID 106653819
1-(cycloocten-1-yl)-2-ethoxybutan-1-amine
CID 106654440
1-(cyclohexen-1-yl)-2-ethoxyethanamine
CID 106653369
2-cyclopropyl-2-ethoxy-1-(furan-2-yl)ethanamine
CID 116723060
1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 116723193
1-(cyclohepten-1-yl)-4-ethoxybutan-1-amine
CID 106657181
2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine
CID 116723225
cyclohepten-1-yl(cyclooctyl)methanamine
CID 65018804
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
cyclohepten-1-yl(cyclopentyl)methanamine
CID 62079813
[1-(cycloocten-1-yl)-2-ethoxybutyl]hydrazine
CID 106649558

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-cyclopropyl-2-ethoxyethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-cyclopropyl-2-ethoxyethanamine (CID 106654499) is 1-(cyclohexen-1-yl)-2-cyclopropyl-2-ethoxyethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-cyclopropyl-2-ethoxyethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-cyclopropyl-2-ethoxyethanamine is CCOC(C1CC1)C(N)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-cyclopropyl-2-ethoxyethanamine?
The InChIKey is SNHFVJKBKCHZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-15-13(11-8-9-11)12(14)10-6-4-3-5-7-10/h6,11-13H,2-5,7-9,14H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-cyclopropyl-2-ethoxyethanamine?
1-(cyclohexen-1-yl)-2-cyclopropyl-2-ethoxyethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.63, 5 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-cyclopropyl-2-ethoxyethanamine is sourced from PubChem (CID 106654499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).