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

C8H18N2 — CID 22151997

IUPAC(E)-1-N,1-N,1-N',1-N'-tetramethylbut-2-ene-1,1-diamine
SMILESC/C=C/C(N(C)C)N(C)C
InChIInChI=1S/C8H18N2/c1-6-7-8(9(2)3)10(4)5/h6-8H,1-5H3/b7-6+
InChIKeyCDUGNFNOFBDKOW-VOTSOKGWSA-N
MW142.25 g/mol
LogP1.01
Rot. Bonds3

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

(E)-1-N,1-N,1-N',1-N'-tetramethylbut-2-ene-1,1-diamine (PubChem CID 22151997) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (E)-1-N,1-N,1-N',1-N'-tetramethylbut-2-ene-1,1-diamine.

Molecular Properties

Compound Name(E)-1-N,1-N,1-N',1-N'-tetramethylbut-2-ene-1,1-diamine
PubChem CID22151997
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(E)-1-N,1-N,1-N',1-N'-tetramethylbut-2-ene-1,1-diamine
SMILESC/C=C/C(N(C)C)N(C)C
InChIInChI=1S/C8H18N2/c1-6-7-8(9(2)3)10(4)5/h6-8H,1-5H3/b7-6+
InChIKeyCDUGNFNOFBDKOW-VOTSOKGWSA-N
XLogP1.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N,1-N,1-N',1-N'-tetramethylbut-2-ene-1,1-diamine?
The IUPAC name of (E)-1-N,1-N,1-N',1-N'-tetramethylbut-2-ene-1,1-diamine (CID 22151997) is (E)-1-N,1-N,1-N',1-N'-tetramethylbut-2-ene-1,1-diamine.
What is the SMILES notation for (E)-1-N,1-N,1-N',1-N'-tetramethylbut-2-ene-1,1-diamine?
The canonical SMILES for (E)-1-N,1-N,1-N',1-N'-tetramethylbut-2-ene-1,1-diamine is C/C=C/C(N(C)C)N(C)C.
What is the InChIKey of (E)-1-N,1-N,1-N',1-N'-tetramethylbut-2-ene-1,1-diamine?
The InChIKey is CDUGNFNOFBDKOW-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H18N2/c1-6-7-8(9(2)3)10(4)5/h6-8H,1-5H3/b7-6+.
What are the key properties of (E)-1-N,1-N,1-N',1-N'-tetramethylbut-2-ene-1,1-diamine?
(E)-1-N,1-N,1-N',1-N'-tetramethylbut-2-ene-1,1-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N,1-N,1-N',1-N'-tetramethylbut-2-ene-1,1-diamine is sourced from PubChem (CID 22151997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).