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

C15H27NO — CID 114227999

IUPAC2-[(2E)-cyclooct-2-en-1-yl]oxy-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1OC1/C=C\CCCCC1
InChIInChI=1S/C15H27NO/c1-16-14-11-7-8-12-15(14)17-13-9-5-3-2-4-6-10-13/h5,9,13-16H,2-4,6-8,10-12H2,1H3/b9-5-
InChIKeyZSTVSEMXVOUQPZ-UITAMQMPSA-N
MW237.39 g/mol
LogP3.42
Rot. Bonds3

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

2-[(2E)-cyclooct-2-en-1-yl]oxy-N-methylcyclohexan-1-amine (PubChem CID 114227999) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[(2E)-cyclooct-2-en-1-yl]oxy-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2E)-cyclooct-2-en-1-yl]oxy-N-methylcyclohexan-1-amine
PubChem CID114227999
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[(2E)-cyclooct-2-en-1-yl]oxy-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1OC1/C=C\CCCCC1
InChIInChI=1S/C15H27NO/c1-16-14-11-7-8-12-15(14)17-13-9-5-3-2-4-6-10-13/h5,9,13-16H,2-4,6-8,10-12H2,1H3/b9-5-
InChIKeyZSTVSEMXVOUQPZ-UITAMQMPSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.42
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
2-(C-methoxycarbonimidoyl)oxy-N-methylcyclooct-3-en-1-amine
CID 123160833
[8-(methylamino)cyclooct-2-en-1-yl]oxymethanethioic S-acid
CID 123587853
N-(2-ethoxycyclooct-3-en-1-yl)acetamide
CID 123693476
2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylethanamine
CID 156282280
2-cyclohex-2-en-1-yloxy-N-methylcyclohexan-1-amine
CID 102633123
2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine
CID 102633452
2-[(E)-but-2-enoxy]-N-methylcyclohexan-1-amine
CID 102633519
4-[(2E)-cyclooct-2-en-1-yl]oxy-N-ethylcyclohexan-1-amine
CID 114227733
1-(cyclohexen-1-yl)-N-methyl-3-propan-2-yloxypropan-2-amine
CID 116661569
[(2E)-8-(methylamino)cyclooct-2-en-1-yl]oxymethanethioic S-acid
CID 144632159

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-cyclooct-2-en-1-yl]oxy-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[(2E)-cyclooct-2-en-1-yl]oxy-N-methylcyclohexan-1-amine (CID 114227999) is 2-[(2E)-cyclooct-2-en-1-yl]oxy-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(2E)-cyclooct-2-en-1-yl]oxy-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(2E)-cyclooct-2-en-1-yl]oxy-N-methylcyclohexan-1-amine is CNC1CCCCC1OC1/C=C\CCCCC1.
What is the InChIKey of 2-[(2E)-cyclooct-2-en-1-yl]oxy-N-methylcyclohexan-1-amine?
The InChIKey is ZSTVSEMXVOUQPZ-UITAMQMPSA-N. The full InChI is InChI=1S/C15H27NO/c1-16-14-11-7-8-12-15(14)17-13-9-5-3-2-4-6-10-13/h5,9,13-16H,2-4,6-8,10-12H2,1H3/b9-5-.
What are the key properties of 2-[(2E)-cyclooct-2-en-1-yl]oxy-N-methylcyclohexan-1-amine?
2-[(2E)-cyclooct-2-en-1-yl]oxy-N-methylcyclohexan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-cyclooct-2-en-1-yl]oxy-N-methylcyclohexan-1-amine is sourced from PubChem (CID 114227999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).