N-propyloctadecan-1-amine;hydrofluoride

C21H46FN — CID 88723062

IUPACN-propyloctadecan-1-amine;hydrofluoride
SMILESCCCCCCCCCCCCCCCCCCNCCC.F
InChIInChI=1S/C21H45N.FH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-4-2;/h22H,3-21H2,1-2H3;1H
InChIKeyKTERDLCQFILDMO-UHFFFAOYSA-N
MW331.60 g/mol
LogP7.40
Rot. Bonds19

About N-propyloctadecan-1-amine;hydrofluoride

N-propyloctadecan-1-amine;hydrofluoride (PubChem CID 88723062) has the molecular formula C21H46FN and a molecular weight of 331.60 g/mol. Its IUPAC name is N-propyloctadecan-1-amine;hydrofluoride.

Molecular Properties

Compound NameN-propyloctadecan-1-amine;hydrofluoride
PubChem CID88723062
Molecular FormulaC21H46FN
Molecular Weight331.60 g/mol
Exact Mass331.36
IUPAC NameN-propyloctadecan-1-amine;hydrofluoride
SMILESCCCCCCCCCCCCCCCCCCNCCC.F
InChIInChI=1S/C21H45N.FH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-4-2;/h22H,3-21H2,1-2H3;1H
InChIKeyKTERDLCQFILDMO-UHFFFAOYSA-N
XLogP7.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.60
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-propyloctadecan-1-amine;hydrofluoride 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-propylhexadecan-1-amine
CID 18792182
N-propylhexadecan-1-amine;hydroiodide
CID 175532385
N-propyldodecan-1-amine;hydrate
CID 175137397
azane;N-propyltetradecan-1-amine
CID 18792183
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N,N'-dipropylicosane-1,20-diamine;dihydrobromide
CID 173263708
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847

Frequently Asked Questions

What is the IUPAC name of N-propyloctadecan-1-amine;hydrofluoride?
The IUPAC name of N-propyloctadecan-1-amine;hydrofluoride (CID 88723062) is N-propyloctadecan-1-amine;hydrofluoride.
What is the SMILES notation for N-propyloctadecan-1-amine;hydrofluoride?
The canonical SMILES for N-propyloctadecan-1-amine;hydrofluoride is CCCCCCCCCCCCCCCCCCNCCC.F.
What is the InChIKey of N-propyloctadecan-1-amine;hydrofluoride?
The InChIKey is KTERDLCQFILDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N.FH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-4-2;/h22H,3-21H2,1-2H3;1H.
What are the key properties of N-propyloctadecan-1-amine;hydrofluoride?
N-propyloctadecan-1-amine;hydrofluoride has a molecular weight of 331.60 g/mol, XLogP of 7.40, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyloctadecan-1-amine;hydrofluoride is sourced from PubChem (CID 88723062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).