N-octadecylaziridin-1-amine

C20H42N2 — CID 56627527

IUPACN-octadecylaziridin-1-amine
SMILESCCCCCCCCCCCCCCCCCCNN1CC1
InChIInChI=1S/C20H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-22/h21H,2-20H2,1H3
InChIKeyGTFMCDQJPWWMPK-UHFFFAOYSA-N
MW310.57 g/mol
LogP6.07
Rot. Bonds18

About N-octadecylaziridin-1-amine

N-octadecylaziridin-1-amine (PubChem CID 56627527) has the molecular formula C20H42N2 and a molecular weight of 310.57 g/mol. Its IUPAC name is N-octadecylaziridin-1-amine.

Molecular Properties

Compound NameN-octadecylaziridin-1-amine
PubChem CID56627527
Molecular FormulaC20H42N2
Molecular Weight310.57 g/mol
Exact Mass310.33
IUPAC NameN-octadecylaziridin-1-amine
SMILESCCCCCCCCCCCCCCCCCCNN1CC1
InChIInChI=1S/C20H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-22/h21H,2-20H2,1H3
InChIKeyGTFMCDQJPWWMPK-UHFFFAOYSA-N
XLogP6.07
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-octylaziridin-1-amine
CID 175164558
4-methyl-N-octylpiperazin-1-amine
CID 83010569
N-icosylpyrrolidin-1-amine
CID 23212585
N-pentadecylpiperazin-1-amine
CID 11690308
N-tetradecylmorpholin-4-amine;hydrobromide
CID 174875915
4-(2-aminoethyl)-N-tridecylpiperazin-1-amine
CID 175591304
N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine
CID 67486995
N-octylpyrrol-1-amine
CID 69416123
2-methyl-N-octyldiazinan-1-amine
CID 118516875
N-hexadecyl-2-methylaziridin-1-amine
CID 19089554
N-hexyl-2,5-dimethylpyrrol-1-amine
CID 79101002
hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate
CID 118924385

Frequently Asked Questions

What is the IUPAC name of N-octadecylaziridin-1-amine?
The IUPAC name of N-octadecylaziridin-1-amine (CID 56627527) is N-octadecylaziridin-1-amine.
What is the SMILES notation for N-octadecylaziridin-1-amine?
The canonical SMILES for N-octadecylaziridin-1-amine is CCCCCCCCCCCCCCCCCCNN1CC1.
What is the InChIKey of N-octadecylaziridin-1-amine?
The InChIKey is GTFMCDQJPWWMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-22/h21H,2-20H2,1H3.
What are the key properties of N-octadecylaziridin-1-amine?
N-octadecylaziridin-1-amine has a molecular weight of 310.57 g/mol, XLogP of 6.07, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadecylaziridin-1-amine is sourced from PubChem (CID 56627527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).