(2E,6E)-N,N-diethyl-9,9,11,11-tetramethyldodeca-2,6-dien-1-amine

C20H39N — CID 44604050

IUPAC(2E,6E)-N,N-diethyl-9,9,11,11-tetramethyldodeca-2,6-dien-1-amine
SMILESCCN(CC)C/C=C/CC/C=C/CC(C)(C)CC(C)(C)C
InChIInChI=1S/C20H39N/c1-8-21(9-2)17-15-13-11-10-12-14-16-20(6,7)18-19(3,4)5/h12-15H,8-11,16-18H2,1-7H3/b14-12+,15-13+
InChIKeyFTSMYZWOICSUBA-QUMQEAAQSA-N
MW293.54 g/mol
LogP6.07
Rot. Bonds10

About (2E,6E)-N,N-diethyl-9,9,11,11-tetramethyldodeca-2,6-dien-1-amine

(2E,6E)-N,N-diethyl-9,9,11,11-tetramethyldodeca-2,6-dien-1-amine (PubChem CID 44604050) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is (2E,6E)-N,N-diethyl-9,9,11,11-tetramethyldodeca-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E,6E)-N,N-diethyl-9,9,11,11-tetramethyldodeca-2,6-dien-1-amine
PubChem CID44604050
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC Name(2E,6E)-N,N-diethyl-9,9,11,11-tetramethyldodeca-2,6-dien-1-amine
SMILESCCN(CC)C/C=C/CC/C=C/CC(C)(C)CC(C)(C)C
InChIInChI=1S/C20H39N/c1-8-21(9-2)17-15-13-11-10-12-14-16-20(6,7)18-19(3,4)5/h12-15H,8-11,16-18H2,1-7H3/b14-12+,15-13+
InChIKeyFTSMYZWOICSUBA-QUMQEAAQSA-N
XLogP6.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-N,N-diethyl-9,9,11,11-tetramethyldodeca-2,6-dien-1-amine?
The IUPAC name of (2E,6E)-N,N-diethyl-9,9,11,11-tetramethyldodeca-2,6-dien-1-amine (CID 44604050) is (2E,6E)-N,N-diethyl-9,9,11,11-tetramethyldodeca-2,6-dien-1-amine.
What is the SMILES notation for (2E,6E)-N,N-diethyl-9,9,11,11-tetramethyldodeca-2,6-dien-1-amine?
The canonical SMILES for (2E,6E)-N,N-diethyl-9,9,11,11-tetramethyldodeca-2,6-dien-1-amine is CCN(CC)C/C=C/CC/C=C/CC(C)(C)CC(C)(C)C.
What is the InChIKey of (2E,6E)-N,N-diethyl-9,9,11,11-tetramethyldodeca-2,6-dien-1-amine?
The InChIKey is FTSMYZWOICSUBA-QUMQEAAQSA-N. The full InChI is InChI=1S/C20H39N/c1-8-21(9-2)17-15-13-11-10-12-14-16-20(6,7)18-19(3,4)5/h12-15H,8-11,16-18H2,1-7H3/b14-12+,15-13+.
What are the key properties of (2E,6E)-N,N-diethyl-9,9,11,11-tetramethyldodeca-2,6-dien-1-amine?
(2E,6E)-N,N-diethyl-9,9,11,11-tetramethyldodeca-2,6-dien-1-amine has a molecular weight of 293.54 g/mol, XLogP of 6.07, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-N,N-diethyl-9,9,11,11-tetramethyldodeca-2,6-dien-1-amine is sourced from PubChem (CID 44604050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).