(E)-N,N',N',2-tetramethylbut-2-ene-1,4-diamine

C8H18N2 — CID 55287137

IUPAC(E)-N,N',N',2-tetramethylbut-2-ene-1,4-diamine
SMILESCNC/C(C)=C/CN(C)C
InChIInChI=1S/C8H18N2/c1-8(7-9-2)5-6-10(3)4/h5,9H,6-7H2,1-4H3/b8-5+
InChIKeyPCJWZVKGJMAFII-VMPITWQZSA-N
MW142.25 g/mol
LogP0.71
Rot. Bonds4

About (E)-N,N',N',2-tetramethylbut-2-ene-1,4-diamine

(E)-N,N',N',2-tetramethylbut-2-ene-1,4-diamine (PubChem CID 55287137) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (E)-N,N',N',2-tetramethylbut-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N,N',N',2-tetramethylbut-2-ene-1,4-diamine
PubChem CID55287137
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(E)-N,N',N',2-tetramethylbut-2-ene-1,4-diamine
SMILESCNC/C(C)=C/CN(C)C
InChIInChI=1S/C8H18N2/c1-8(7-9-2)5-6-10(3)4/h5,9H,6-7H2,1-4H3/b8-5+
InChIKeyPCJWZVKGJMAFII-VMPITWQZSA-N
XLogP0.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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',N',2-tetramethylbut-2-ene-1,4-diamine?
The IUPAC name of (E)-N,N',N',2-tetramethylbut-2-ene-1,4-diamine (CID 55287137) is (E)-N,N',N',2-tetramethylbut-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N,N',N',2-tetramethylbut-2-ene-1,4-diamine?
The canonical SMILES for (E)-N,N',N',2-tetramethylbut-2-ene-1,4-diamine is CNC/C(C)=C/CN(C)C.
What is the InChIKey of (E)-N,N',N',2-tetramethylbut-2-ene-1,4-diamine?
The InChIKey is PCJWZVKGJMAFII-VMPITWQZSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(7-9-2)5-6-10(3)4/h5,9H,6-7H2,1-4H3/b8-5+.
What are the key properties of (E)-N,N',N',2-tetramethylbut-2-ene-1,4-diamine?
(E)-N,N',N',2-tetramethylbut-2-ene-1,4-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N',N',2-tetramethylbut-2-ene-1,4-diamine is sourced from PubChem (CID 55287137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).