(dodecanoylamino)-dimethyl-propylazanium chloride

C17H37ClN2O — CID 175462059

IUPAC(dodecanoylamino)-dimethyl-propylazanium chloride
SMILESCCCCCCCCCCCC(=O)N[N+](C)(C)CCC.[Cl-]
InChIInChI=1S/C17H36N2O.ClH/c1-5-7-8-9-10-11-12-13-14-15-17(20)18-19(3,4)16-6-2;/h5-16H2,1-4H3;1H
InChIKeyDGJIFSZQHZORFR-UHFFFAOYSA-N
MW320.95 g/mol
LogP1.43
Rot. Bonds13

About (dodecanoylamino)-dimethyl-propylazanium chloride

(dodecanoylamino)-dimethyl-propylazanium chloride (PubChem CID 175462059) has the molecular formula C17H37ClN2O and a molecular weight of 320.95 g/mol. Its IUPAC name is (dodecanoylamino)-dimethyl-propylazanium chloride.

Molecular Properties

Compound Name(dodecanoylamino)-dimethyl-propylazanium chloride
PubChem CID175462059
Molecular FormulaC17H37ClN2O
Molecular Weight320.95 g/mol
Exact Mass320.26
IUPAC Name(dodecanoylamino)-dimethyl-propylazanium chloride
SMILESCCCCCCCCCCCC(=O)N[N+](C)(C)CCC.[Cl-]
InChIInChI=1S/C17H36N2O.ClH/c1-5-7-8-9-10-11-12-13-14-15-17(20)18-19(3,4)16-6-2;/h5-16H2,1-4H3;1H
InChIKeyDGJIFSZQHZORFR-UHFFFAOYSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.95
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[[(Z)-octadec-9-enoyl]amino]-propylazanium
CID 87094383
2-hydroxyethyl-dimethyl-(octanoylamino)azanium
CID 15496013
[[(Z)-docos-13-enoyl]amino]-dimethyl-propylazanium acetate
CID 87930887
triethyl-(octadecanoylamino)azanium
CID 54543010
bis[2-(dodecanoylamino)ethyl]-dimethylazanium chloride
CID 87131100
trimethyl-[3-(octadecanoylamino)propyl]azanium chloride
CID 3015139
acetamido-hexadecyl-dimethylazanium
CID 154504461
N-decanoyldecanamide
CID 87914075
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
2-(heptanoylamino)ethyl-trimethylazanium
CID 101274918
dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium
CID 166487544
3-(dodecanoylamino)propyl-dimethyl-tetradecylazanium chloride
CID 88804757

Frequently Asked Questions

What is the IUPAC name of (dodecanoylamino)-dimethyl-propylazanium chloride?
The IUPAC name of (dodecanoylamino)-dimethyl-propylazanium chloride (CID 175462059) is (dodecanoylamino)-dimethyl-propylazanium chloride.
What is the SMILES notation for (dodecanoylamino)-dimethyl-propylazanium chloride?
The canonical SMILES for (dodecanoylamino)-dimethyl-propylazanium chloride is CCCCCCCCCCCC(=O)N[N+](C)(C)CCC.[Cl-].
What is the InChIKey of (dodecanoylamino)-dimethyl-propylazanium chloride?
The InChIKey is DGJIFSZQHZORFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O.ClH/c1-5-7-8-9-10-11-12-13-14-15-17(20)18-19(3,4)16-6-2;/h5-16H2,1-4H3;1H.
What are the key properties of (dodecanoylamino)-dimethyl-propylazanium chloride?
(dodecanoylamino)-dimethyl-propylazanium chloride has a molecular weight of 320.95 g/mol, XLogP of 1.43, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (dodecanoylamino)-dimethyl-propylazanium chloride is sourced from PubChem (CID 175462059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).