4-N,4-N,4-triethylhex-1-ene-3,4-diamine

C12H26N2 — CID 79061790

IUPAC4-N,4-N,4-triethylhex-1-ene-3,4-diamine
SMILESC=CC(N)C(CC)(CC)N(CC)CC
InChIInChI=1S/C12H26N2/c1-6-11(13)12(7-2,8-3)14(9-4)10-5/h6,11H,1,7-10,13H2,2-5H3
InChIKeyIRTZUPYDBVSJSR-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.40
Rot. Bonds7

About 4-N,4-N,4-triethylhex-1-ene-3,4-diamine

4-N,4-N,4-triethylhex-1-ene-3,4-diamine (PubChem CID 79061790) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-N,4-N,4-triethylhex-1-ene-3,4-diamine.

Molecular Properties

Compound Name4-N,4-N,4-triethylhex-1-ene-3,4-diamine
PubChem CID79061790
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-N,4-N,4-triethylhex-1-ene-3,4-diamine
SMILESC=CC(N)C(CC)(CC)N(CC)CC
InChIInChI=1S/C12H26N2/c1-6-11(13)12(7-2,8-3)14(9-4)10-5/h6,11H,1,7-10,13H2,2-5H3
InChIKeyIRTZUPYDBVSJSR-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.40
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 4-N,4-N,4-triethylhex-1-ene-3,4-diamine?
The IUPAC name of 4-N,4-N,4-triethylhex-1-ene-3,4-diamine (CID 79061790) is 4-N,4-N,4-triethylhex-1-ene-3,4-diamine.
What is the SMILES notation for 4-N,4-N,4-triethylhex-1-ene-3,4-diamine?
The canonical SMILES for 4-N,4-N,4-triethylhex-1-ene-3,4-diamine is C=CC(N)C(CC)(CC)N(CC)CC.
What is the InChIKey of 4-N,4-N,4-triethylhex-1-ene-3,4-diamine?
The InChIKey is IRTZUPYDBVSJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-11(13)12(7-2,8-3)14(9-4)10-5/h6,11H,1,7-10,13H2,2-5H3.
What are the key properties of 4-N,4-N,4-triethylhex-1-ene-3,4-diamine?
4-N,4-N,4-triethylhex-1-ene-3,4-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,4-triethylhex-1-ene-3,4-diamine is sourced from PubChem (CID 79061790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).