(1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine

C12H23N — CID 14543743

IUPAC(1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine
SMILESCC(/C=C/N(C)C)=C\CCC(C)C
InChIInChI=1S/C12H23N/c1-11(2)7-6-8-12(3)9-10-13(4)5/h8-11H,6-7H2,1-5H3/b10-9+,12-8+
InChIKeyBUYRCFBWKQAMFS-RSPOHRJYSA-N
MW181.32 g/mol
LogP3.44
Rot. Bonds5

About (1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine

(1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine (PubChem CID 14543743) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine
PubChem CID14543743
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine
SMILESCC(/C=C/N(C)C)=C\CCC(C)C
InChIInChI=1S/C12H23N/c1-11(2)7-6-8-12(3)9-10-13(4)5/h8-11H,6-7H2,1-5H3/b10-9+,12-8+
InChIKeyBUYRCFBWKQAMFS-RSPOHRJYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine?
The IUPAC name of (1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine (CID 14543743) is (1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine?
The canonical SMILES for (1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine is CC(/C=C/N(C)C)=C\CCC(C)C.
What is the InChIKey of (1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine?
The InChIKey is BUYRCFBWKQAMFS-RSPOHRJYSA-N. The full InChI is InChI=1S/C12H23N/c1-11(2)7-6-8-12(3)9-10-13(4)5/h8-11H,6-7H2,1-5H3/b10-9+,12-8+.
What are the key properties of (1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine?
(1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine is sourced from PubChem (CID 14543743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).