N,N-dimethyloctadecan-1-amine;propanoic acid

C23H49NO2 — CID 173352619

IUPACN,N-dimethyloctadecan-1-amine;propanoic acid
SMILESCCC(=O)O.CCCCCCCCCCCCCCCCCCN(C)C
InChIInChI=1S/C20H43N.C3H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2-3(4)5/h4-20H2,1-3H3;2H2,1H3,(H,4,5)
InChIKeyJHVWTPJKKJQCSX-UHFFFAOYSA-N
MW371.65 g/mol
LogP7.29
Rot. Bonds18

About N,N-dimethyloctadecan-1-amine;propanoic acid

N,N-dimethyloctadecan-1-amine;propanoic acid (PubChem CID 173352619) has the molecular formula C23H49NO2 and a molecular weight of 371.65 g/mol. Its IUPAC name is N,N-dimethyloctadecan-1-amine;propanoic acid.

Molecular Properties

Compound NameN,N-dimethyloctadecan-1-amine;propanoic acid
PubChem CID173352619
Molecular FormulaC23H49NO2
Molecular Weight371.65 g/mol
Exact Mass371.38
IUPAC NameN,N-dimethyloctadecan-1-amine;propanoic acid
SMILESCCC(=O)O.CCCCCCCCCCCCCCCCCCN(C)C
InChIInChI=1S/C20H43N.C3H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2-3(4)5/h4-20H2,1-3H3;2H2,1H3,(H,4,5)
InChIKeyJHVWTPJKKJQCSX-UHFFFAOYSA-N
XLogP7.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.65
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethyloctadecan-1-amine;propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyldodecan-1-amine;propanoic acid
CID 21226472
N,N-dimethylbutan-1-amine;propanoic acid
CID 173099075
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
CID 87839414
CID 87839414
N,N-dimethylicosan-1-amine;hexanoic acid
CID 174595283
2-chloroacetic acid;N,N-dimethyldodecan-1-amine
CID 71300539
N,N-dimethyloctan-1-amine
CID 161279104
decane;propanoic acid
CID 158826686
N,N-dimethylnonadecan-1-amine
CID 546994
acetic acid;N,N-dimethyldodecan-1-amine;guanidine
CID 174976714
N,N-dimethyldodecan-1-amine;hypobromous acid
CID 175692920
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyloctadecan-1-amine;propanoic acid?
The IUPAC name of N,N-dimethyloctadecan-1-amine;propanoic acid (CID 173352619) is N,N-dimethyloctadecan-1-amine;propanoic acid.
What is the SMILES notation for N,N-dimethyloctadecan-1-amine;propanoic acid?
The canonical SMILES for N,N-dimethyloctadecan-1-amine;propanoic acid is CCC(=O)O.CCCCCCCCCCCCCCCCCCN(C)C.
What is the InChIKey of N,N-dimethyloctadecan-1-amine;propanoic acid?
The InChIKey is JHVWTPJKKJQCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N.C3H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2-3(4)5/h4-20H2,1-3H3;2H2,1H3,(H,4,5).
What are the key properties of N,N-dimethyloctadecan-1-amine;propanoic acid?
N,N-dimethyloctadecan-1-amine;propanoic acid has a molecular weight of 371.65 g/mol, XLogP of 7.29, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyloctadecan-1-amine;propanoic acid is sourced from PubChem (CID 173352619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).