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

C14H29NO2 — CID 143599871

IUPAC(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol
SMILESC=C/C(=C(\C=C/C)NC)C(C)CC.CO.CO
InChIInChI=1S/C12H21N.2CH4O/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;2*2H,1H3/b9-6-,12-11-;;
InChIKeyOPUOMPBETGNBKL-JKHAOOCNSA-N
MW243.39 g/mol
LogP2.49
Rot. Bonds5

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

(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol (PubChem CID 143599871) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is (2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol.

Molecular Properties

Compound Name(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol
PubChem CID143599871
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol
SMILESC=C/C(=C(\C=C/C)NC)C(C)CC.CO.CO
InChIInChI=1S/C12H21N.2CH4O/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;2*2H,1H3/b9-6-,12-11-;;
InChIKeyOPUOMPBETGNBKL-JKHAOOCNSA-N
XLogP2.49
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.49
H-Bond Donors ≤ 53
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 (2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol?
The IUPAC name of (2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol (CID 143599871) is (2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol.
What is the SMILES notation for (2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol?
The canonical SMILES for (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.CO.CO.
What is the InChIKey of (2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol?
The InChIKey is OPUOMPBETGNBKL-JKHAOOCNSA-N. The full InChI is InChI=1S/C12H21N.2CH4O/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;2*2H,1H3/b9-6-,12-11-;;.
What are the key properties of (2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol?
(2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol has a molecular weight of 243.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-ethenyl-N,6-dimethylocta-2,4-dien-4-amine;methanol is sourced from PubChem (CID 143599871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).