N-hexadecyl-2-methylaziridin-1-amine

C19H40N2 — CID 19089554

IUPACN-hexadecyl-2-methylaziridin-1-amine
SMILESCCCCCCCCCCCCCCCCNN1CC1C
InChIInChI=1S/C19H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19(21)2/h19-20H,3-18H2,1-2H3
InChIKeyCESLJWWPZURDSI-UHFFFAOYSA-N
MW296.54 g/mol
LogP5.68
Rot. Bonds16

About N-hexadecyl-2-methylaziridin-1-amine

N-hexadecyl-2-methylaziridin-1-amine (PubChem CID 19089554) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is N-hexadecyl-2-methylaziridin-1-amine.

Molecular Properties

Compound NameN-hexadecyl-2-methylaziridin-1-amine
PubChem CID19089554
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC NameN-hexadecyl-2-methylaziridin-1-amine
SMILESCCCCCCCCCCCCCCCCNN1CC1C
InChIInChI=1S/C19H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19(21)2/h19-20H,3-18H2,1-2H3
InChIKeyCESLJWWPZURDSI-UHFFFAOYSA-N
XLogP5.68
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 55.68
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'}

Analyze N-hexadecyl-2-methylaziridin-1-amine 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-octylaziridin-1-amine
CID 175164558
N-octadecylaziridin-1-amine
CID 56627527
N-icosylpyrrolidin-1-amine
CID 23212585
1-N-docosylpiperazine-1,2-diamine
CID 91098559
N-decyl-1,5-dimethylpyrrolidin-3-amine
CID 81467256
1-heptyl-2-methylaziridine
CID 142378837
4-methyl-N-octylpiperazin-1-amine
CID 83010569
N-pentadecylpiperazin-1-amine
CID 11690308
3-(pentacosylamino)propane-1,1-diol
CID 87068583
N-octylpyrrol-1-amine
CID 69416123
2-methyl-N-octyldiazinan-1-amine
CID 118516875
N-tetradecylmorpholin-4-amine;hydrobromide
CID 174875915

Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-2-methylaziridin-1-amine?
The IUPAC name of N-hexadecyl-2-methylaziridin-1-amine (CID 19089554) is N-hexadecyl-2-methylaziridin-1-amine.
What is the SMILES notation for N-hexadecyl-2-methylaziridin-1-amine?
The canonical SMILES for N-hexadecyl-2-methylaziridin-1-amine is CCCCCCCCCCCCCCCCNN1CC1C.
What is the InChIKey of N-hexadecyl-2-methylaziridin-1-amine?
The InChIKey is CESLJWWPZURDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19(21)2/h19-20H,3-18H2,1-2H3.
What are the key properties of N-hexadecyl-2-methylaziridin-1-amine?
N-hexadecyl-2-methylaziridin-1-amine has a molecular weight of 296.54 g/mol, XLogP of 5.68, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-2-methylaziridin-1-amine is sourced from PubChem (CID 19089554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).