[diethylamino(dimethylamino)methyl]-(dipropylamino)-dimethylazanium

C15H37N4+ — CID 154442283

IUPAC[diethylamino(dimethylamino)methyl]-(dipropylamino)-dimethylazanium
SMILESCCCN(CCC)[N+](C)(C)C(N(C)C)N(CC)CC
InChIInChI=1S/C15H37N4/c1-9-13-18(14-10-2)19(7,8)15(16(5)6)17(11-3)12-4/h15H,9-14H2,1-8H3/q+1
InChIKeyQYWJARVVMAPCQB-UHFFFAOYSA-N
MW273.49 g/mol
LogP2.29
Rot. Bonds10

About [diethylamino(dimethylamino)methyl]-(dipropylamino)-dimethylazanium

[diethylamino(dimethylamino)methyl]-(dipropylamino)-dimethylazanium (PubChem CID 154442283) has the molecular formula C15H37N4+ and a molecular weight of 273.49 g/mol. Its IUPAC name is [diethylamino(dimethylamino)methyl]-(dipropylamino)-dimethylazanium.

Molecular Properties

Compound Name[diethylamino(dimethylamino)methyl]-(dipropylamino)-dimethylazanium
PubChem CID154442283
Molecular FormulaC15H37N4+
Molecular Weight273.49 g/mol
Exact Mass273.30
IUPAC Name[diethylamino(dimethylamino)methyl]-(dipropylamino)-dimethylazanium
SMILESCCCN(CCC)[N+](C)(C)C(N(C)C)N(CC)CC
InChIInChI=1S/C15H37N4/c1-9-13-18(14-10-2)19(7,8)15(16(5)6)17(11-3)12-4/h15H,9-14H2,1-8H3/q+1
InChIKeyQYWJARVVMAPCQB-UHFFFAOYSA-N
XLogP2.29
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [diethylamino(dimethylamino)methyl]-(dipropylamino)-dimethylazanium?
The IUPAC name of [diethylamino(dimethylamino)methyl]-(dipropylamino)-dimethylazanium (CID 154442283) is [diethylamino(dimethylamino)methyl]-(dipropylamino)-dimethylazanium.
What is the SMILES notation for [diethylamino(dimethylamino)methyl]-(dipropylamino)-dimethylazanium?
The canonical SMILES for [diethylamino(dimethylamino)methyl]-(dipropylamino)-dimethylazanium is CCCN(CCC)[N+](C)(C)C(N(C)C)N(CC)CC.
What is the InChIKey of [diethylamino(dimethylamino)methyl]-(dipropylamino)-dimethylazanium?
The InChIKey is QYWJARVVMAPCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H37N4/c1-9-13-18(14-10-2)19(7,8)15(16(5)6)17(11-3)12-4/h15H,9-14H2,1-8H3/q+1.
What are the key properties of [diethylamino(dimethylamino)methyl]-(dipropylamino)-dimethylazanium?
[diethylamino(dimethylamino)methyl]-(dipropylamino)-dimethylazanium has a molecular weight of 273.49 g/mol, XLogP of 2.29, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [diethylamino(dimethylamino)methyl]-(dipropylamino)-dimethylazanium is sourced from PubChem (CID 154442283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).