4-[(2E)-cyclooct-2-en-1-yl]oxy-N-ethylcyclohexan-1-amine

C16H29NO — CID 114227733

IUPAC4-[(2E)-cyclooct-2-en-1-yl]oxy-N-ethylcyclohexan-1-amine
SMILESCCNC1CCC(OC2/C=C\CCCCC2)CC1
InChIInChI=1S/C16H29NO/c1-2-17-14-10-12-16(13-11-14)18-15-8-6-4-3-5-7-9-15/h6,8,14-17H,2-5,7,9-13H2,1H3/b8-6-
InChIKeyRNVGCKPAHLRNIN-VURMDHGXSA-N
MW251.41 g/mol
LogP3.81
Rot. Bonds4

About 4-[(2E)-cyclooct-2-en-1-yl]oxy-N-ethylcyclohexan-1-amine

4-[(2E)-cyclooct-2-en-1-yl]oxy-N-ethylcyclohexan-1-amine (PubChem CID 114227733) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 4-[(2E)-cyclooct-2-en-1-yl]oxy-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2E)-cyclooct-2-en-1-yl]oxy-N-ethylcyclohexan-1-amine
PubChem CID114227733
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name4-[(2E)-cyclooct-2-en-1-yl]oxy-N-ethylcyclohexan-1-amine
SMILESCCNC1CCC(OC2/C=C\CCCCC2)CC1
InChIInChI=1S/C16H29NO/c1-2-17-14-10-12-16(13-11-14)18-15-8-6-4-3-5-7-9-15/h6,8,14-17H,2-5,7,9-13H2,1H3/b8-6-
InChIKeyRNVGCKPAHLRNIN-VURMDHGXSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.81
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

Methyl-(9-oxa-bicyclo[3.3.1]non-6-en-2-yl)-amine
CID 545919
[(2E)-6-(methylamino)cyclooct-2-en-1-yl] acetate
CID 129162304
(4Z)-4-[[(4E)-cyclooct-4-en-1-yl]oxymethyl]-N-methylcyclooct-4-en-1-amine
CID 169833209
4-[(E)-but-2-enoxy]-N-ethylcyclohexan-1-amine
CID 104454884
4-but-3-en-2-yloxy-N-ethylcyclohexan-1-amine
CID 104454924
4-[(E)-but-2-enoxy]-N-propylcyclohexan-1-amine
CID 104455262
4-but-3-en-2-yloxy-N-propylcyclohexan-1-amine
CID 104455300
4-cyclohex-2-en-1-yloxy-N-propylcyclohexan-1-amine
CID 113608987
2-[(2E)-cyclooct-2-en-1-yl]oxy-N-methylcyclohexan-1-amine
CID 114227999
4-cyclohex-2-en-1-yloxy-N-methylcyclohexan-1-amine
CID 114619947
4-cyclohex-2-en-1-yloxy-N-ethylcyclohexan-1-amine
CID 114619948

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-cyclooct-2-en-1-yl]oxy-N-ethylcyclohexan-1-amine?
The IUPAC name of 4-[(2E)-cyclooct-2-en-1-yl]oxy-N-ethylcyclohexan-1-amine (CID 114227733) is 4-[(2E)-cyclooct-2-en-1-yl]oxy-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 4-[(2E)-cyclooct-2-en-1-yl]oxy-N-ethylcyclohexan-1-amine?
The canonical SMILES for 4-[(2E)-cyclooct-2-en-1-yl]oxy-N-ethylcyclohexan-1-amine is CCNC1CCC(OC2/C=C\CCCCC2)CC1.
What is the InChIKey of 4-[(2E)-cyclooct-2-en-1-yl]oxy-N-ethylcyclohexan-1-amine?
The InChIKey is RNVGCKPAHLRNIN-VURMDHGXSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-17-14-10-12-16(13-11-14)18-15-8-6-4-3-5-7-9-15/h6,8,14-17H,2-5,7,9-13H2,1H3/b8-6-.
What are the key properties of 4-[(2E)-cyclooct-2-en-1-yl]oxy-N-ethylcyclohexan-1-amine?
4-[(2E)-cyclooct-2-en-1-yl]oxy-N-ethylcyclohexan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-cyclooct-2-en-1-yl]oxy-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 114227733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).