3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane

C18H35NO — CID 146534303

IUPAC3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane
SMILESCC1CCCCCCCCCCCCN(CC2CO2)C1
InChIInChI=1S/C18H35NO/c1-17-12-10-8-6-4-2-3-5-7-9-11-13-19(14-17)15-18-16-20-18/h17-18H,2-16H2,1H3
InChIKeyUPILQZAGSHBXBZ-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.63
Rot. Bonds2

About 3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane

3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane (PubChem CID 146534303) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane.

Molecular Properties

Compound Name3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane
PubChem CID146534303
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane
SMILESCC1CCCCCCCCCCCCN(CC2CO2)C1
InChIInChI=1S/C18H35NO/c1-17-12-10-8-6-4-2-3-5-7-9-11-13-19(14-17)15-18-16-20-18/h17-18H,2-16H2,1H3
InChIKeyUPILQZAGSHBXBZ-UHFFFAOYSA-N
XLogP4.63
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane 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

1-(oxiran-2-ylmethyl)pyrrolidine
CID 13313617
1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine
CID 40505235
4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine
CID 40505250
ethane;1-ethyl-3-methylazepane
CID 142283412
1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine
CID 86661984
3-methyl-1-(oxolan-3-ylmethyl)piperidine
CID 77147821
N,N-dimethyl-1-(oxiran-2-ylmethyl)piperidine-3-carboxamide
CID 102548593
3-(3-methylazecan-1-yl)propan-1-amine
CID 10680071
(3R)-1-[[(2S,3R,5S)-5-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine
CID 70882774
1-(2,3-dimethylbutyl)-3-methylpiperidine
CID 174315397
(3R)-3-methyl-1-[[(2R)-piperidin-2-yl]methyl]piperidine
CID 124748585
(3S)-1-[[(2R,3S,4S)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine
CID 70882985

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane?
The IUPAC name of 3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane (CID 146534303) is 3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane.
What is the SMILES notation for 3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane?
The canonical SMILES for 3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane is CC1CCCCCCCCCCCCN(CC2CO2)C1.
What is the InChIKey of 3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane?
The InChIKey is UPILQZAGSHBXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-17-12-10-8-6-4-2-3-5-7-9-11-13-19(14-17)15-18-16-20-18/h17-18H,2-16H2,1H3.
What are the key properties of 3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane?
3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane has a molecular weight of 281.48 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane is sourced from PubChem (CID 146534303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).