N",N"-diethyl-N,N,N',N'-tetramethylmethanetriamine

C9H23N3 — CID 134919142

IUPACN",N"-diethyl-N,N,N',N'-tetramethylmethanetriamine
SMILESCCN(CC)C(N(C)C)N(C)C
InChIInChI=1S/C9H23N3/c1-7-12(8-2)9(10(3)4)11(5)6/h9H,7-8H2,1-6H3
InChIKeyUMJONDHWFJLLRU-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.74
Rot. Bonds5

About N",N"-diethyl-N,N,N',N'-tetramethylmethanetriamine

N",N"-diethyl-N,N,N',N'-tetramethylmethanetriamine (PubChem CID 134919142) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is N",N"-diethyl-N,N,N',N'-tetramethylmethanetriamine.

Molecular Properties

Compound NameN",N"-diethyl-N,N,N',N'-tetramethylmethanetriamine
PubChem CID134919142
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC NameN",N"-diethyl-N,N,N',N'-tetramethylmethanetriamine
SMILESCCN(CC)C(N(C)C)N(C)C
InChIInChI=1S/C9H23N3/c1-7-12(8-2)9(10(3)4)11(5)6/h9H,7-8H2,1-6H3
InChIKeyUMJONDHWFJLLRU-UHFFFAOYSA-N
XLogP0.74
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N",N"-diethyl-N,N,N',N'-tetramethylmethanetriamine?
The IUPAC name of N",N"-diethyl-N,N,N',N'-tetramethylmethanetriamine (CID 134919142) is N",N"-diethyl-N,N,N',N'-tetramethylmethanetriamine.
What is the SMILES notation for N",N"-diethyl-N,N,N',N'-tetramethylmethanetriamine?
The canonical SMILES for N",N"-diethyl-N,N,N',N'-tetramethylmethanetriamine is CCN(CC)C(N(C)C)N(C)C.
What is the InChIKey of N",N"-diethyl-N,N,N',N'-tetramethylmethanetriamine?
The InChIKey is UMJONDHWFJLLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-7-12(8-2)9(10(3)4)11(5)6/h9H,7-8H2,1-6H3.
What are the key properties of N",N"-diethyl-N,N,N',N'-tetramethylmethanetriamine?
N",N"-diethyl-N,N,N',N'-tetramethylmethanetriamine has a molecular weight of 173.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N",N"-diethyl-N,N,N',N'-tetramethylmethanetriamine is sourced from PubChem (CID 134919142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).