4-N,4-N-diethyl-1-N,1-N,5-trimethylhex-4-en-2-yne-1,4-diamine

C13H24N2 — CID 15415047

IUPAC4-N,4-N-diethyl-1-N,1-N,5-trimethylhex-4-en-2-yne-1,4-diamine
SMILESCCN(CC)C(C#CCN(C)C)=C(C)C
InChIInChI=1S/C13H24N2/c1-7-15(8-2)13(12(3)4)10-9-11-14(5)6/h7-8,11H2,1-6H3
InChIKeyWQEXYVLIBRKYCK-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.19
Rot. Bonds4

About 4-N,4-N-diethyl-1-N,1-N,5-trimethylhex-4-en-2-yne-1,4-diamine

4-N,4-N-diethyl-1-N,1-N,5-trimethylhex-4-en-2-yne-1,4-diamine (PubChem CID 15415047) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N,1-N,5-trimethylhex-4-en-2-yne-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N,1-N,5-trimethylhex-4-en-2-yne-1,4-diamine
PubChem CID15415047
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name4-N,4-N-diethyl-1-N,1-N,5-trimethylhex-4-en-2-yne-1,4-diamine
SMILESCCN(CC)C(C#CCN(C)C)=C(C)C
InChIInChI=1S/C13H24N2/c1-7-15(8-2)13(12(3)4)10-9-11-14(5)6/h7-8,11H2,1-6H3
InChIKeyWQEXYVLIBRKYCK-UHFFFAOYSA-N
XLogP2.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N,1-N,5-trimethylhex-4-en-2-yne-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N,1-N,5-trimethylhex-4-en-2-yne-1,4-diamine (CID 15415047) is 4-N,4-N-diethyl-1-N,1-N,5-trimethylhex-4-en-2-yne-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N,1-N,5-trimethylhex-4-en-2-yne-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N,1-N,5-trimethylhex-4-en-2-yne-1,4-diamine is CCN(CC)C(C#CCN(C)C)=C(C)C.
What is the InChIKey of 4-N,4-N-diethyl-1-N,1-N,5-trimethylhex-4-en-2-yne-1,4-diamine?
The InChIKey is WQEXYVLIBRKYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-7-15(8-2)13(12(3)4)10-9-11-14(5)6/h7-8,11H2,1-6H3.
What are the key properties of 4-N,4-N-diethyl-1-N,1-N,5-trimethylhex-4-en-2-yne-1,4-diamine?
4-N,4-N-diethyl-1-N,1-N,5-trimethylhex-4-en-2-yne-1,4-diamine has a molecular weight of 208.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N,1-N,5-trimethylhex-4-en-2-yne-1,4-diamine is sourced from PubChem (CID 15415047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).