1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-(methylamino)ethyl]butane-1,2,4-triamine

C11H28N4 — CID 130303694

IUPAC1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-(methylamino)ethyl]butane-1,2,4-triamine
SMILESCNCCNC(CCN(C)C)CN(C)C
InChIInChI=1S/C11H28N4/c1-12-7-8-13-11(10-15(4)5)6-9-14(2)3/h11-13H,6-10H2,1-5H3
InChIKeyGICREUXPUBBWOH-UHFFFAOYSA-N
MW216.37 g/mol
LogP-0.32
Rot. Bonds9

About 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-(methylamino)ethyl]butane-1,2,4-triamine

1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-(methylamino)ethyl]butane-1,2,4-triamine (PubChem CID 130303694) has the molecular formula C11H28N4 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-(methylamino)ethyl]butane-1,2,4-triamine.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-(methylamino)ethyl]butane-1,2,4-triamine
PubChem CID130303694
Molecular FormulaC11H28N4
Molecular Weight216.37 g/mol
Exact Mass216.23
IUPAC Name1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-(methylamino)ethyl]butane-1,2,4-triamine
SMILESCNCCNC(CCN(C)C)CN(C)C
InChIInChI=1S/C11H28N4/c1-12-7-8-13-11(10-15(4)5)6-9-14(2)3/h11-13H,6-10H2,1-5H3
InChIKeyGICREUXPUBBWOH-UHFFFAOYSA-N
XLogP-0.32
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-(methylamino)ethyl]butane-1,2,4-triamine?
The IUPAC name of 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-(methylamino)ethyl]butane-1,2,4-triamine (CID 130303694) is 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-(methylamino)ethyl]butane-1,2,4-triamine.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-(methylamino)ethyl]butane-1,2,4-triamine?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-(methylamino)ethyl]butane-1,2,4-triamine is CNCCNC(CCN(C)C)CN(C)C.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-(methylamino)ethyl]butane-1,2,4-triamine?
The InChIKey is GICREUXPUBBWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N4/c1-12-7-8-13-11(10-15(4)5)6-9-14(2)3/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-(methylamino)ethyl]butane-1,2,4-triamine?
1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-(methylamino)ethyl]butane-1,2,4-triamine has a molecular weight of 216.37 g/mol, XLogP of -0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-(methylamino)ethyl]butane-1,2,4-triamine is sourced from PubChem (CID 130303694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).