1,2-dimethyl-3-(5-methylhexyl)aziridine

C11H23N — CID 146374939

IUPAC1,2-dimethyl-3-(5-methylhexyl)aziridine
SMILESCC(C)CCCCC1C(C)N1C
InChIInChI=1S/C11H23N/c1-9(2)7-5-6-8-11-10(3)12(11)4/h9-11H,5-8H2,1-4H3
InChIKeyHLCWCLHXUIBDND-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.91
Rot. Bonds5

About 1,2-dimethyl-3-(5-methylhexyl)aziridine

1,2-dimethyl-3-(5-methylhexyl)aziridine (PubChem CID 146374939) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1,2-dimethyl-3-(5-methylhexyl)aziridine.

Molecular Properties

Compound Name1,2-dimethyl-3-(5-methylhexyl)aziridine
PubChem CID146374939
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1,2-dimethyl-3-(5-methylhexyl)aziridine
SMILESCC(C)CCCCC1C(C)N1C
InChIInChI=1S/C11H23N/c1-9(2)7-5-6-8-11-10(3)12(11)4/h9-11H,5-8H2,1-4H3
InChIKeyHLCWCLHXUIBDND-UHFFFAOYSA-N
XLogP2.91
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
1-methyl-2-(7-methyloctyl)cyclopropane
CID 123963548
2,3-dimethyl-1-(3-methylbutyl)aziridine
CID 130453016
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
13-methyltetradecylcyclopentane
CID 123698808
1-ethylidene-2-methyl-3-(5-methylhexyl)cyclopropane
CID 123561290
1-ethyl-2-(5-methylhexyl)cyclopropane
CID 123182568
[(2R,3S)-3-(5-methylhexyl)oxiran-2-yl]methanol
CID 14102159
[(2S,3R)-3-(5-methylhexyl)oxiran-2-yl]methanol
CID 14102158
2-(5-methylhexyl)oxetane
CID 173452744
CID 156639964
CID 156639964

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(5-methylhexyl)aziridine?
The IUPAC name of 1,2-dimethyl-3-(5-methylhexyl)aziridine (CID 146374939) is 1,2-dimethyl-3-(5-methylhexyl)aziridine.
What is the SMILES notation for 1,2-dimethyl-3-(5-methylhexyl)aziridine?
The canonical SMILES for 1,2-dimethyl-3-(5-methylhexyl)aziridine is CC(C)CCCCC1C(C)N1C.
What is the InChIKey of 1,2-dimethyl-3-(5-methylhexyl)aziridine?
The InChIKey is HLCWCLHXUIBDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-9(2)7-5-6-8-11-10(3)12(11)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 1,2-dimethyl-3-(5-methylhexyl)aziridine?
1,2-dimethyl-3-(5-methylhexyl)aziridine has a molecular weight of 169.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(5-methylhexyl)aziridine is sourced from PubChem (CID 146374939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).