(2S)-2-methyl-1-(4-methylhexyl)aziridine

C10H21N — CID 163523150

IUPAC(2S)-2-methyl-1-(4-methylhexyl)aziridine
SMILESCCC(C)CCCN1C[C@@H]1C
InChIInChI=1S/C10H21N/c1-4-9(2)6-5-7-11-8-10(11)3/h9-10H,4-8H2,1-3H3/t9?,10-,11?/m0/s1
InChIKeyDMOIXPJSVJNACO-YVNMAJEFSA-N
MW155.28 g/mol
LogP2.52
Rot. Bonds5

About (2S)-2-methyl-1-(4-methylhexyl)aziridine

(2S)-2-methyl-1-(4-methylhexyl)aziridine (PubChem CID 163523150) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (2S)-2-methyl-1-(4-methylhexyl)aziridine.

Molecular Properties

Compound Name(2S)-2-methyl-1-(4-methylhexyl)aziridine
PubChem CID163523150
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(2S)-2-methyl-1-(4-methylhexyl)aziridine
SMILESCCC(C)CCCN1C[C@@H]1C
InChIInChI=1S/C10H21N/c1-4-9(2)6-5-7-11-8-10(11)3/h9-10H,4-8H2,1-3H3/t9?,10-,11?/m0/s1
InChIKeyDMOIXPJSVJNACO-YVNMAJEFSA-N
XLogP2.52
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(4-methylhexyl)aziridine?
The IUPAC name of (2S)-2-methyl-1-(4-methylhexyl)aziridine (CID 163523150) is (2S)-2-methyl-1-(4-methylhexyl)aziridine.
What is the SMILES notation for (2S)-2-methyl-1-(4-methylhexyl)aziridine?
The canonical SMILES for (2S)-2-methyl-1-(4-methylhexyl)aziridine is CCC(C)CCCN1C[C@@H]1C.
What is the InChIKey of (2S)-2-methyl-1-(4-methylhexyl)aziridine?
The InChIKey is DMOIXPJSVJNACO-YVNMAJEFSA-N. The full InChI is InChI=1S/C10H21N/c1-4-9(2)6-5-7-11-8-10(11)3/h9-10H,4-8H2,1-3H3/t9?,10-,11?/m0/s1.
What are the key properties of (2S)-2-methyl-1-(4-methylhexyl)aziridine?
(2S)-2-methyl-1-(4-methylhexyl)aziridine has a molecular weight of 155.28 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(4-methylhexyl)aziridine is sourced from PubChem (CID 163523150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).