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

C17H37NO2 — CID 21226472

IUPACN,N-dimethyldodecan-1-amine;propanoic acid
SMILESCCC(=O)O.CCCCCCCCCCCCN(C)C
InChIInChI=1S/C14H31N.C3H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-2-3(4)5/h4-14H2,1-3H3;2H2,1H3,(H,4,5)
InChIKeyGPCCGVMFLXJYGL-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.95
Rot. Bonds12

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

N,N-dimethyldodecan-1-amine;propanoic acid (PubChem CID 21226472) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is N,N-dimethyldodecan-1-amine;propanoic acid.

Molecular Properties

Compound NameN,N-dimethyldodecan-1-amine;propanoic acid
PubChem CID21226472
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC NameN,N-dimethyldodecan-1-amine;propanoic acid
SMILESCCC(=O)O.CCCCCCCCCCCCN(C)C
InChIInChI=1S/C14H31N.C3H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-2-3(4)5/h4-14H2,1-3H3;2H2,1H3,(H,4,5)
InChIKeyGPCCGVMFLXJYGL-UHFFFAOYSA-N
XLogP4.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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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-dimethyldodecan-1-amine;propanoic acid?
The IUPAC name of N,N-dimethyldodecan-1-amine;propanoic acid (CID 21226472) is N,N-dimethyldodecan-1-amine;propanoic acid.
What is the SMILES notation for N,N-dimethyldodecan-1-amine;propanoic acid?
The canonical SMILES for N,N-dimethyldodecan-1-amine;propanoic acid is CCC(=O)O.CCCCCCCCCCCCN(C)C.
What is the InChIKey of N,N-dimethyldodecan-1-amine;propanoic acid?
The InChIKey is GPCCGVMFLXJYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N.C3H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-2-3(4)5/h4-14H2,1-3H3;2H2,1H3,(H,4,5).
What are the key properties of N,N-dimethyldodecan-1-amine;propanoic acid?
N,N-dimethyldodecan-1-amine;propanoic acid has a molecular weight of 287.49 g/mol, XLogP of 4.95, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyldodecan-1-amine;propanoic acid is sourced from PubChem (CID 21226472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).