2-(8-methylnon-8-enyl)-3-octylaziridine

C20H39N — CID 169210996

IUPAC2-(8-methylnon-8-enyl)-3-octylaziridine
SMILESC=C(C)CCCCCCCC1NC1CCCCCCCC
InChIInChI=1S/C20H39N/c1-4-5-6-7-10-13-16-19-20(21-19)17-14-11-8-9-12-15-18(2)3/h19-21H,2,4-17H2,1,3H3
InChIKeyOHVCDNMAXVDJOO-UHFFFAOYSA-N
MW293.54 g/mol
LogP6.38
Rot. Bonds15

About 2-(8-methylnon-8-enyl)-3-octylaziridine

2-(8-methylnon-8-enyl)-3-octylaziridine (PubChem CID 169210996) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is 2-(8-methylnon-8-enyl)-3-octylaziridine.

Molecular Properties

Compound Name2-(8-methylnon-8-enyl)-3-octylaziridine
PubChem CID169210996
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC Name2-(8-methylnon-8-enyl)-3-octylaziridine
SMILESC=C(C)CCCCCCCC1NC1CCCCCCCC
InChIInChI=1S/C20H39N/c1-4-5-6-7-10-13-16-19-20(21-19)17-14-11-8-9-12-15-18(2)3/h19-21H,2,4-17H2,1,3H3
InChIKeyOHVCDNMAXVDJOO-UHFFFAOYSA-N
XLogP6.38
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyltetradec-1-ene
CID 521375
ethane;2-methyloct-1-ene
CID 143077596
1-(8-methylnon-8-enyl)-2-octylcyclopropane
CID 155570149
ethane;2-methyloct-1-ene;propane
CID 177190898
ethane;2-methylhept-1-ene
CID 143682307
8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol
CID 98525976
2-methylhex-1-ene
CID 158402499
2,14-dimethylpentadeca-1,14-diene
CID 123962057
N-(6-methylhept-6-enyl)-N-propyloctan-1-amine
CID 167036910
(2S,3S,4S,5S)-2-(hydroxymethyl)-5-undecylpyrrolidine-3,4-diol
CID 53316565
1-(8-methylnon-8-enoxy)dodecane
CID 10520052
8-heptoxy-2-methyloct-1-ene
CID 59205550

Frequently Asked Questions

What is the IUPAC name of 2-(8-methylnon-8-enyl)-3-octylaziridine?
The IUPAC name of 2-(8-methylnon-8-enyl)-3-octylaziridine (CID 169210996) is 2-(8-methylnon-8-enyl)-3-octylaziridine.
What is the SMILES notation for 2-(8-methylnon-8-enyl)-3-octylaziridine?
The canonical SMILES for 2-(8-methylnon-8-enyl)-3-octylaziridine is C=C(C)CCCCCCCC1NC1CCCCCCCC.
What is the InChIKey of 2-(8-methylnon-8-enyl)-3-octylaziridine?
The InChIKey is OHVCDNMAXVDJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-4-5-6-7-10-13-16-19-20(21-19)17-14-11-8-9-12-15-18(2)3/h19-21H,2,4-17H2,1,3H3.
What are the key properties of 2-(8-methylnon-8-enyl)-3-octylaziridine?
2-(8-methylnon-8-enyl)-3-octylaziridine has a molecular weight of 293.54 g/mol, XLogP of 6.38, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methylnon-8-enyl)-3-octylaziridine is sourced from PubChem (CID 169210996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).