4-ethyl-N,N,4,5-tetramethylhexa-1,5-dien-3-amine

C12H23N — CID 142387926

IUPAC4-ethyl-N,N,4,5-tetramethylhexa-1,5-dien-3-amine
SMILESC=CC(N(C)C)C(C)(CC)C(=C)C
InChIInChI=1S/C12H23N/c1-8-11(13(6)7)12(5,9-2)10(3)4/h8,11H,1,3,9H2,2,4-7H3
InChIKeyGAZCQGQTHBUBIM-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.10
Rot. Bonds5

About 4-ethyl-N,N,4,5-tetramethylhexa-1,5-dien-3-amine

4-ethyl-N,N,4,5-tetramethylhexa-1,5-dien-3-amine (PubChem CID 142387926) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4-ethyl-N,N,4,5-tetramethylhexa-1,5-dien-3-amine.

Molecular Properties

Compound Name4-ethyl-N,N,4,5-tetramethylhexa-1,5-dien-3-amine
PubChem CID142387926
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4-ethyl-N,N,4,5-tetramethylhexa-1,5-dien-3-amine
SMILESC=CC(N(C)C)C(C)(CC)C(=C)C
InChIInChI=1S/C12H23N/c1-8-11(13(6)7)12(5,9-2)10(3)4/h8,11H,1,3,9H2,2,4-7H3
InChIKeyGAZCQGQTHBUBIM-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,N,4,5-tetramethylhexa-1,5-dien-3-amine?
The IUPAC name of 4-ethyl-N,N,4,5-tetramethylhexa-1,5-dien-3-amine (CID 142387926) is 4-ethyl-N,N,4,5-tetramethylhexa-1,5-dien-3-amine.
What is the SMILES notation for 4-ethyl-N,N,4,5-tetramethylhexa-1,5-dien-3-amine?
The canonical SMILES for 4-ethyl-N,N,4,5-tetramethylhexa-1,5-dien-3-amine is C=CC(N(C)C)C(C)(CC)C(=C)C.
What is the InChIKey of 4-ethyl-N,N,4,5-tetramethylhexa-1,5-dien-3-amine?
The InChIKey is GAZCQGQTHBUBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-8-11(13(6)7)12(5,9-2)10(3)4/h8,11H,1,3,9H2,2,4-7H3.
What are the key properties of 4-ethyl-N,N,4,5-tetramethylhexa-1,5-dien-3-amine?
4-ethyl-N,N,4,5-tetramethylhexa-1,5-dien-3-amine has a molecular weight of 181.32 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,N,4,5-tetramethylhexa-1,5-dien-3-amine is sourced from PubChem (CID 142387926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).