3-N,3-N,4-N,4-N,2,5-hexamethylhex-2-ene-3,4-diamine

C12H26N2 — CID 86012584

IUPAC3-N,3-N,4-N,4-N,2,5-hexamethylhex-2-ene-3,4-diamine
SMILESCC(C)=C(C(C(C)C)N(C)C)N(C)C
InChIInChI=1S/C12H26N2/c1-9(2)11(13(5)6)12(10(3)4)14(7)8/h9,11H,1-8H3
InChIKeyBUORDKMIPAJYQD-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.43
Rot. Bonds4

About 3-N,3-N,4-N,4-N,2,5-hexamethylhex-2-ene-3,4-diamine

3-N,3-N,4-N,4-N,2,5-hexamethylhex-2-ene-3,4-diamine (PubChem CID 86012584) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-N,3-N,4-N,4-N,2,5-hexamethylhex-2-ene-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N,4-N,4-N,2,5-hexamethylhex-2-ene-3,4-diamine
PubChem CID86012584
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-N,3-N,4-N,4-N,2,5-hexamethylhex-2-ene-3,4-diamine
SMILESCC(C)=C(C(C(C)C)N(C)C)N(C)C
InChIInChI=1S/C12H26N2/c1-9(2)11(13(5)6)12(10(3)4)14(7)8/h9,11H,1-8H3
InChIKeyBUORDKMIPAJYQD-UHFFFAOYSA-N
XLogP2.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-N,4-N,2,5-hexamethylhex-2-ene-3,4-diamine?
The IUPAC name of 3-N,3-N,4-N,4-N,2,5-hexamethylhex-2-ene-3,4-diamine (CID 86012584) is 3-N,3-N,4-N,4-N,2,5-hexamethylhex-2-ene-3,4-diamine.
What is the SMILES notation for 3-N,3-N,4-N,4-N,2,5-hexamethylhex-2-ene-3,4-diamine?
The canonical SMILES for 3-N,3-N,4-N,4-N,2,5-hexamethylhex-2-ene-3,4-diamine is CC(C)=C(C(C(C)C)N(C)C)N(C)C.
What is the InChIKey of 3-N,3-N,4-N,4-N,2,5-hexamethylhex-2-ene-3,4-diamine?
The InChIKey is BUORDKMIPAJYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(2)11(13(5)6)12(10(3)4)14(7)8/h9,11H,1-8H3.
What are the key properties of 3-N,3-N,4-N,4-N,2,5-hexamethylhex-2-ene-3,4-diamine?
3-N,3-N,4-N,4-N,2,5-hexamethylhex-2-ene-3,4-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-N,4-N,2,5-hexamethylhex-2-ene-3,4-diamine is sourced from PubChem (CID 86012584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).