cis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine

C15H25NO — CID 126658692

IUPACcis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine
SMILESC=C(/C=C\C=C/C)CCO[C@@H]1CCCC[C@@H]1N
InChIInChI=1S/C15H25NO/c1-3-4-5-8-13(2)11-12-17-15-10-7-6-9-14(15)16/h3-5,8,14-15H,2,6-7,9-12,16H2,1H3/b4-3-,8-5-/t14-,15+/m0/s1
InChIKeyLGSBCCCLOGPHPS-YIUFRNPASA-N
MW235.37 g/mol
LogP3.35
Rot. Bonds6

About cis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine

cis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine (PubChem CID 126658692) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine
PubChem CID126658692
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Namecis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine
SMILESC=C(/C=C\C=C/C)CCO[C@@H]1CCCC[C@@H]1N
InChIInChI=1S/C15H25NO/c1-3-4-5-8-13(2)11-12-17-15-10-7-6-9-14(15)16/h3-5,8,14-15H,2,6-7,9-12,16H2,1H3/b4-3-,8-5-/t14-,15+/m0/s1
InChIKeyLGSBCCCLOGPHPS-YIUFRNPASA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine (CID 126658692) is cis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine is C=C(/C=C\C=C/C)CCO[C@@H]1CCCC[C@@H]1N.
What is the InChIKey of cis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine?
The InChIKey is LGSBCCCLOGPHPS-YIUFRNPASA-N. The full InChI is InChI=1S/C15H25NO/c1-3-4-5-8-13(2)11-12-17-15-10-7-6-9-14(15)16/h3-5,8,14-15H,2,6-7,9-12,16H2,1H3/b4-3-,8-5-/t14-,15+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine?
cis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(4Z,6Z)-3-methylideneocta-4,6-dienoxy]cyclohexan-1-amine is sourced from PubChem (CID 126658692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).