3-N-ethyl-2-N,2-N,2,5-tetramethylhex-5-ene-2,3-diamine

C12H26N2 — CID 79185849

IUPAC3-N-ethyl-2-N,2-N,2,5-tetramethylhex-5-ene-2,3-diamine
SMILESC=C(C)CC(NCC)C(C)(C)N(C)C
InChIInChI=1S/C12H26N2/c1-8-13-11(9-10(2)3)12(4,5)14(6)7/h11,13H,2,8-9H2,1,3-7H3
InChIKeyHMNAASNHFAUUJW-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds6

About 3-N-ethyl-2-N,2-N,2,5-tetramethylhex-5-ene-2,3-diamine

3-N-ethyl-2-N,2-N,2,5-tetramethylhex-5-ene-2,3-diamine (PubChem CID 79185849) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-N-ethyl-2-N,2-N,2,5-tetramethylhex-5-ene-2,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-2-N,2-N,2,5-tetramethylhex-5-ene-2,3-diamine
PubChem CID79185849
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-N-ethyl-2-N,2-N,2,5-tetramethylhex-5-ene-2,3-diamine
SMILESC=C(C)CC(NCC)C(C)(C)N(C)C
InChIInChI=1S/C12H26N2/c1-8-13-11(9-10(2)3)12(4,5)14(6)7/h11,13H,2,8-9H2,1,3-7H3
InChIKeyHMNAASNHFAUUJW-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 3-N-ethyl-2-N,2-N,2,5-tetramethylhex-5-ene-2,3-diamine?
The IUPAC name of 3-N-ethyl-2-N,2-N,2,5-tetramethylhex-5-ene-2,3-diamine (CID 79185849) is 3-N-ethyl-2-N,2-N,2,5-tetramethylhex-5-ene-2,3-diamine.
What is the SMILES notation for 3-N-ethyl-2-N,2-N,2,5-tetramethylhex-5-ene-2,3-diamine?
The canonical SMILES for 3-N-ethyl-2-N,2-N,2,5-tetramethylhex-5-ene-2,3-diamine is C=C(C)CC(NCC)C(C)(C)N(C)C.
What is the InChIKey of 3-N-ethyl-2-N,2-N,2,5-tetramethylhex-5-ene-2,3-diamine?
The InChIKey is HMNAASNHFAUUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-8-13-11(9-10(2)3)12(4,5)14(6)7/h11,13H,2,8-9H2,1,3-7H3.
What are the key properties of 3-N-ethyl-2-N,2-N,2,5-tetramethylhex-5-ene-2,3-diamine?
3-N-ethyl-2-N,2-N,2,5-tetramethylhex-5-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 3-N-ethyl-2-N,2-N,2,5-tetramethylhex-5-ene-2,3-diamine is sourced from PubChem (CID 79185849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).