(E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine

C20H41N — CID 11011888

IUPAC(E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine
SMILESCCCCN(C/C=C/CC(C)(C)CC(C)(C)C)CCCC
InChIInChI=1S/C20H41N/c1-8-10-15-21(16-11-9-2)17-13-12-14-20(6,7)18-19(3,4)5/h12-13H,8-11,14-18H2,1-7H3/b13-12+
InChIKeyGHJNOUXFXKYHAD-OUKQBFOZSA-N
MW295.56 g/mol
LogP6.30
Rot. Bonds11

About (E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine

(E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine (PubChem CID 11011888) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is (E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine
PubChem CID11011888
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name(E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine
SMILESCCCCN(C/C=C/CC(C)(C)CC(C)(C)C)CCCC
InChIInChI=1S/C20H41N/c1-8-10-15-21(16-11-9-2)17-13-12-14-20(6,7)18-19(3,4)5/h12-13H,8-11,14-18H2,1-7H3/b13-12+
InChIKeyGHJNOUXFXKYHAD-OUKQBFOZSA-N
XLogP6.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.30
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 (E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine?
The IUPAC name of (E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine (CID 11011888) is (E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine?
The canonical SMILES for (E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine is CCCCN(C/C=C/CC(C)(C)CC(C)(C)C)CCCC.
What is the InChIKey of (E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine?
The InChIKey is GHJNOUXFXKYHAD-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H41N/c1-8-10-15-21(16-11-9-2)17-13-12-14-20(6,7)18-19(3,4)5/h12-13H,8-11,14-18H2,1-7H3/b13-12+.
What are the key properties of (E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine?
(E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine has a molecular weight of 295.56 g/mol, XLogP of 6.30, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine is sourced from PubChem (CID 11011888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).