1-[(4Z,6Z)-1-amino-3-methylideneocta-4,6-dien-2-yl]cyclohexan-1-ol;methoxymethane

C17H31NO2 — CID 143448311

IUPAC1-[(4Z,6Z)-1-amino-3-methylideneocta-4,6-dien-2-yl]cyclohexan-1-ol;methoxymethane
SMILESC=C(/C=C\C=C/C)C(CN)C1(O)CCCCC1.COC
InChIInChI=1S/C15H25NO.C2H6O/c1-3-4-6-9-13(2)14(12-16)15(17)10-7-5-8-11-15;1-3-2/h3-4,6,9,14,17H,2,5,7-8,10-12,16H2,1H3;1-2H3/b4-3-,9-6-;
InChIKeyFIKYMFLYLKGEJI-GERGMWHESA-N
MW281.44 g/mol
LogP3.21
Rot. Bonds5

About 1-[(4Z,6Z)-1-amino-3-methylideneocta-4,6-dien-2-yl]cyclohexan-1-ol;methoxymethane

1-[(4Z,6Z)-1-amino-3-methylideneocta-4,6-dien-2-yl]cyclohexan-1-ol;methoxymethane (PubChem CID 143448311) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[(4Z,6Z)-1-amino-3-methylideneocta-4,6-dien-2-yl]cyclohexan-1-ol;methoxymethane.

Molecular Properties

Compound Name1-[(4Z,6Z)-1-amino-3-methylideneocta-4,6-dien-2-yl]cyclohexan-1-ol;methoxymethane
PubChem CID143448311
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1-[(4Z,6Z)-1-amino-3-methylideneocta-4,6-dien-2-yl]cyclohexan-1-ol;methoxymethane
SMILESC=C(/C=C\C=C/C)C(CN)C1(O)CCCCC1.COC
InChIInChI=1S/C15H25NO.C2H6O/c1-3-4-6-9-13(2)14(12-16)15(17)10-7-5-8-11-15;1-3-2/h3-4,6,9,14,17H,2,5,7-8,10-12,16H2,1H3;1-2H3/b4-3-,9-6-;
InChIKeyFIKYMFLYLKGEJI-GERGMWHESA-N
XLogP3.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4Z,6Z)-1-amino-3-methylideneocta-4,6-dien-2-yl]cyclohexan-1-ol;methoxymethane?
The IUPAC name of 1-[(4Z,6Z)-1-amino-3-methylideneocta-4,6-dien-2-yl]cyclohexan-1-ol;methoxymethane (CID 143448311) is 1-[(4Z,6Z)-1-amino-3-methylideneocta-4,6-dien-2-yl]cyclohexan-1-ol;methoxymethane.
What is the SMILES notation for 1-[(4Z,6Z)-1-amino-3-methylideneocta-4,6-dien-2-yl]cyclohexan-1-ol;methoxymethane?
The canonical SMILES for 1-[(4Z,6Z)-1-amino-3-methylideneocta-4,6-dien-2-yl]cyclohexan-1-ol;methoxymethane is C=C(/C=C\C=C/C)C(CN)C1(O)CCCCC1.COC.
What is the InChIKey of 1-[(4Z,6Z)-1-amino-3-methylideneocta-4,6-dien-2-yl]cyclohexan-1-ol;methoxymethane?
The InChIKey is FIKYMFLYLKGEJI-GERGMWHESA-N. The full InChI is InChI=1S/C15H25NO.C2H6O/c1-3-4-6-9-13(2)14(12-16)15(17)10-7-5-8-11-15;1-3-2/h3-4,6,9,14,17H,2,5,7-8,10-12,16H2,1H3;1-2H3/b4-3-,9-6-;.
What are the key properties of 1-[(4Z,6Z)-1-amino-3-methylideneocta-4,6-dien-2-yl]cyclohexan-1-ol;methoxymethane?
1-[(4Z,6Z)-1-amino-3-methylideneocta-4,6-dien-2-yl]cyclohexan-1-ol;methoxymethane has a molecular weight of 281.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,6Z)-1-amino-3-methylideneocta-4,6-dien-2-yl]cyclohexan-1-ol;methoxymethane is sourced from PubChem (CID 143448311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).