(2E,4E)-10-methoxy-2,7,10-trimethylundeca-2,4-dien-1-amine

C15H29NO — CID 88844803

IUPAC(2E,4E)-10-methoxy-2,7,10-trimethylundeca-2,4-dien-1-amine
SMILESCOC(C)(C)CCC(C)C/C=C/C=C(\C)CN
InChIInChI=1S/C15H29NO/c1-13(10-11-15(3,4)17-5)8-6-7-9-14(2)12-16/h6-7,9,13H,8,10-12,16H2,1-5H3/b7-6+,14-9+
InChIKeyGJAVYKIASHCMHC-LYNMIIHYSA-N
MW239.40 g/mol
LogP3.68
Rot. Bonds8

About (2E,4E)-10-methoxy-2,7,10-trimethylundeca-2,4-dien-1-amine

(2E,4E)-10-methoxy-2,7,10-trimethylundeca-2,4-dien-1-amine (PubChem CID 88844803) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (2E,4E)-10-methoxy-2,7,10-trimethylundeca-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-10-methoxy-2,7,10-trimethylundeca-2,4-dien-1-amine
PubChem CID88844803
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(2E,4E)-10-methoxy-2,7,10-trimethylundeca-2,4-dien-1-amine
SMILESCOC(C)(C)CCC(C)C/C=C/C=C(\C)CN
InChIInChI=1S/C15H29NO/c1-13(10-11-15(3,4)17-5)8-6-7-9-14(2)12-16/h6-7,9,13H,8,10-12,16H2,1-5H3/b7-6+,14-9+
InChIKeyGJAVYKIASHCMHC-LYNMIIHYSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.68
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 (2E,4E)-10-methoxy-2,7,10-trimethylundeca-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-10-methoxy-2,7,10-trimethylundeca-2,4-dien-1-amine (CID 88844803) is (2E,4E)-10-methoxy-2,7,10-trimethylundeca-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-10-methoxy-2,7,10-trimethylundeca-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-10-methoxy-2,7,10-trimethylundeca-2,4-dien-1-amine is COC(C)(C)CCC(C)C/C=C/C=C(\C)CN.
What is the InChIKey of (2E,4E)-10-methoxy-2,7,10-trimethylundeca-2,4-dien-1-amine?
The InChIKey is GJAVYKIASHCMHC-LYNMIIHYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(10-11-15(3,4)17-5)8-6-7-9-14(2)12-16/h6-7,9,13H,8,10-12,16H2,1-5H3/b7-6+,14-9+.
What are the key properties of (2E,4E)-10-methoxy-2,7,10-trimethylundeca-2,4-dien-1-amine?
(2E,4E)-10-methoxy-2,7,10-trimethylundeca-2,4-dien-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-10-methoxy-2,7,10-trimethylundeca-2,4-dien-1-amine is sourced from PubChem (CID 88844803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).