ethane;(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol

C15H31NO — CID 143599828

IUPACethane;(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol
SMILESC=C/C(=C(\C=C/C)NC)C(C)CC.CC.CO
InChIInChI=1S/C12H21N.C2H6.CH4O/c1-6-9-12(13-5)11(8-3)10(4)7-2;2*1-2/h6,8-10,13H,3,7H2,1-2,4-5H3;1-2H3;2H,1H3/b9-6-,12-11-;;
InChIKeyRRELGWTXRWKPIW-JKHAOOCNSA-N
MW241.42 g/mol
LogP3.90
Rot. Bonds5

About ethane;(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol

ethane;(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol (PubChem CID 143599828) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is ethane;(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol.

Molecular Properties

Compound Nameethane;(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol
PubChem CID143599828
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Nameethane;(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol
SMILESC=C/C(=C(\C=C/C)NC)C(C)CC.CC.CO
InChIInChI=1S/C12H21N.C2H6.CH4O/c1-6-9-12(13-5)11(8-3)10(4)7-2;2*1-2/h6,8-10,13H,3,7H2,1-2,4-5H3;1-2H3;2H,1H3/b9-6-,12-11-;;
InChIKeyRRELGWTXRWKPIW-JKHAOOCNSA-N
XLogP3.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
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 ethane;(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol?
The IUPAC name of ethane;(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol (CID 143599828) is ethane;(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol.
What is the SMILES notation for ethane;(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol?
The canonical SMILES for ethane;(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol is C=C/C(=C(\C=C/C)NC)C(C)CC.CC.CO.
What is the InChIKey of ethane;(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol?
The InChIKey is RRELGWTXRWKPIW-JKHAOOCNSA-N. The full InChI is InChI=1S/C12H21N.C2H6.CH4O/c1-6-9-12(13-5)11(8-3)10(4)7-2;2*1-2/h6,8-10,13H,3,7H2,1-2,4-5H3;1-2H3;2H,1H3/b9-6-,12-11-;;.
What are the key properties of ethane;(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol?
ethane;(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol has a molecular weight of 241.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol is sourced from PubChem (CID 143599828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).