N-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid

C9H18F3N3O3 — CID 87130167

IUPACN-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CC(=O)NCCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C7H17N3O.C2HF3O2/c1-10(2)6-7(11)9-5-3-4-8;3-2(4,5)1(6)7/h3-6,8H2,1-2H3,(H,9,11);(H,6,7)
InChIKeyCWWDKWOBKXYSNH-UHFFFAOYSA-N
MW273.25 g/mol
LogP-0.35
Rot. Bonds5

About N-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid

N-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 87130167) has the molecular formula C9H18F3N3O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid
PubChem CID87130167
Molecular FormulaC9H18F3N3O3
Molecular Weight273.25 g/mol
Exact Mass273.13
IUPAC NameN-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CC(=O)NCCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C7H17N3O.C2HF3O2/c1-10(2)6-7(11)9-5-3-4-8;3-2(4,5)1(6)7/h3-6,8H2,1-2H3,(H,9,11);(H,6,7)
InChIKeyCWWDKWOBKXYSNH-UHFFFAOYSA-N
XLogP-0.35
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
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 N-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid (CID 87130167) is N-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid is CN(C)CC(=O)NCCCN.O=C(O)C(F)(F)F.
What is the InChIKey of N-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is CWWDKWOBKXYSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O.C2HF3O2/c1-10(2)6-7(11)9-5-3-4-8;3-2(4,5)1(6)7/h3-6,8H2,1-2H3,(H,9,11);(H,6,7).
What are the key properties of N-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid?
N-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 273.25 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(dimethylamino)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87130167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).