(E)-1-N,1-N,3-N,3-N-tetraethylbut-1-ene-1,3-diamine

C12H26N2 — CID 10910504

IUPAC(E)-1-N,1-N,3-N,3-N-tetraethylbut-1-ene-1,3-diamine
SMILESCCN(/C=C/C(C)N(CC)CC)CC
InChIInChI=1S/C12H26N2/c1-6-13(7-2)11-10-12(5)14(8-3)9-4/h10-12H,6-9H2,1-5H3/b11-10+
InChIKeyHKWTUXSGATUFSZ-ZHACJKMWSA-N
MW198.35 g/mol
LogP2.57
Rot. Bonds7

About (E)-1-N,1-N,3-N,3-N-tetraethylbut-1-ene-1,3-diamine

(E)-1-N,1-N,3-N,3-N-tetraethylbut-1-ene-1,3-diamine (PubChem CID 10910504) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (E)-1-N,1-N,3-N,3-N-tetraethylbut-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-1-N,1-N,3-N,3-N-tetraethylbut-1-ene-1,3-diamine
PubChem CID10910504
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(E)-1-N,1-N,3-N,3-N-tetraethylbut-1-ene-1,3-diamine
SMILESCCN(/C=C/C(C)N(CC)CC)CC
InChIInChI=1S/C12H26N2/c1-6-13(7-2)11-10-12(5)14(8-3)9-4/h10-12H,6-9H2,1-5H3/b11-10+
InChIKeyHKWTUXSGATUFSZ-ZHACJKMWSA-N
XLogP2.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 574395
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CID 57891989
CID 57891989
CID 163510067
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CID 5370462
CID 5370462
CID 45087879
CID 45087879
CID 85934007
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CID 129768721
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CID 134853882
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CID 5355638
CID 5355638

Frequently Asked Questions

What is the IUPAC name of (E)-1-N,1-N,3-N,3-N-tetraethylbut-1-ene-1,3-diamine?
The IUPAC name of (E)-1-N,1-N,3-N,3-N-tetraethylbut-1-ene-1,3-diamine (CID 10910504) is (E)-1-N,1-N,3-N,3-N-tetraethylbut-1-ene-1,3-diamine.
What is the SMILES notation for (E)-1-N,1-N,3-N,3-N-tetraethylbut-1-ene-1,3-diamine?
The canonical SMILES for (E)-1-N,1-N,3-N,3-N-tetraethylbut-1-ene-1,3-diamine is CCN(/C=C/C(C)N(CC)CC)CC.
What is the InChIKey of (E)-1-N,1-N,3-N,3-N-tetraethylbut-1-ene-1,3-diamine?
The InChIKey is HKWTUXSGATUFSZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-13(7-2)11-10-12(5)14(8-3)9-4/h10-12H,6-9H2,1-5H3/b11-10+.
What are the key properties of (E)-1-N,1-N,3-N,3-N-tetraethylbut-1-ene-1,3-diamine?
(E)-1-N,1-N,3-N,3-N-tetraethylbut-1-ene-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.57, 7 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,3-N,3-N-tetraethylbut-1-ene-1,3-diamine is sourced from PubChem (CID 10910504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).