2-N,2-N-diethyl-3-N,2,4-trimethylpent-4-ene-2,3-diamine

C12H26N2 — CID 79179520

IUPAC2-N,2-N-diethyl-3-N,2,4-trimethylpent-4-ene-2,3-diamine
SMILESC=C(C)C(NC)C(C)(C)N(CC)CC
InChIInChI=1S/C12H26N2/c1-8-14(9-2)12(5,6)11(13-7)10(3)4/h11,13H,3,8-9H2,1-2,4-7H3
InChIKeyGDYUAWPZBASXGI-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds6

About 2-N,2-N-diethyl-3-N,2,4-trimethylpent-4-ene-2,3-diamine

2-N,2-N-diethyl-3-N,2,4-trimethylpent-4-ene-2,3-diamine (PubChem CID 79179520) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N,2-N-diethyl-3-N,2,4-trimethylpent-4-ene-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-3-N,2,4-trimethylpent-4-ene-2,3-diamine
PubChem CID79179520
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N,2-N-diethyl-3-N,2,4-trimethylpent-4-ene-2,3-diamine
SMILESC=C(C)C(NC)C(C)(C)N(CC)CC
InChIInChI=1S/C12H26N2/c1-8-14(9-2)12(5,6)11(13-7)10(3)4/h11,13H,3,8-9H2,1-2,4-7H3
InChIKeyGDYUAWPZBASXGI-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.27
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 2-N,2-N-diethyl-3-N,2,4-trimethylpent-4-ene-2,3-diamine?
The IUPAC name of 2-N,2-N-diethyl-3-N,2,4-trimethylpent-4-ene-2,3-diamine (CID 79179520) is 2-N,2-N-diethyl-3-N,2,4-trimethylpent-4-ene-2,3-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-3-N,2,4-trimethylpent-4-ene-2,3-diamine?
The canonical SMILES for 2-N,2-N-diethyl-3-N,2,4-trimethylpent-4-ene-2,3-diamine is C=C(C)C(NC)C(C)(C)N(CC)CC.
What is the InChIKey of 2-N,2-N-diethyl-3-N,2,4-trimethylpent-4-ene-2,3-diamine?
The InChIKey is GDYUAWPZBASXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-8-14(9-2)12(5,6)11(13-7)10(3)4/h11,13H,3,8-9H2,1-2,4-7H3.
What are the key properties of 2-N,2-N-diethyl-3-N,2,4-trimethylpent-4-ene-2,3-diamine?
2-N,2-N-diethyl-3-N,2,4-trimethylpent-4-ene-2,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-3-N,2,4-trimethylpent-4-ene-2,3-diamine is sourced from PubChem (CID 79179520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).