2-cyclopropyl-3-methyl-1-(2-methylbutyl)aziridine

C11H21N — CID 123745640

IUPAC2-cyclopropyl-3-methyl-1-(2-methylbutyl)aziridine
SMILESCCC(C)CN1C(C)C1C1CC1
InChIInChI=1S/C11H21N/c1-4-8(2)7-12-9(3)11(12)10-5-6-10/h8-11H,4-7H2,1-3H3
InChIKeySXMXJLCLQSREIC-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.52
Rot. Bonds4

About 2-cyclopropyl-3-methyl-1-(2-methylbutyl)aziridine

2-cyclopropyl-3-methyl-1-(2-methylbutyl)aziridine (PubChem CID 123745640) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-cyclopropyl-3-methyl-1-(2-methylbutyl)aziridine.

Molecular Properties

Compound Name2-cyclopropyl-3-methyl-1-(2-methylbutyl)aziridine
PubChem CID123745640
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-cyclopropyl-3-methyl-1-(2-methylbutyl)aziridine
SMILESCCC(C)CN1C(C)C1C1CC1
InChIInChI=1S/C11H21N/c1-4-8(2)7-12-9(3)11(12)10-5-6-10/h8-11H,4-7H2,1-3H3
InChIKeySXMXJLCLQSREIC-UHFFFAOYSA-N
XLogP2.52
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
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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Related Compounds

N-Methyl-N-(4-methylheptan-2-yl)cyclopropanamine
CID 27526
N-Methyl-N-(6-methylheptan-2-yl)cyclopropanamine
CID 27734
(2S,3R)-1,1,2-Trimethyl-3-(propan-2-yl)aziridin-1-ium iodide
CID 24189533
1-Ethyl-2-isopropyl-3-methylaziridine
CID 287953
1,2-Diisopropyl-3-methylaziridine
CID 287980
1-Hexyl-2-methyl-3-propan-2-ylaziridine
CID 287976
(2R,3R)-1,1,2-Trimethyl-3-(propan-2-yl)aziridin-1-ium iodide
CID 24189535
Aziridine, 2-(1,1-dimethylethyl)-1-hexyl-3-methyl-, trans-
CID 602773
1,1,2-Trimethyl-3-propan-2-ylaziridin-1-ium
CID 417503
1-(1-Pentylcyclopropyl)aziridine
CID 17821418
N,5-dimethyl-N-propan-2-ylhexan-2-amine
CID 20687205
1-(4-Methylpentan-2-yl)aziridine
CID 22894449

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-methyl-1-(2-methylbutyl)aziridine?
The IUPAC name of 2-cyclopropyl-3-methyl-1-(2-methylbutyl)aziridine (CID 123745640) is 2-cyclopropyl-3-methyl-1-(2-methylbutyl)aziridine.
What is the SMILES notation for 2-cyclopropyl-3-methyl-1-(2-methylbutyl)aziridine?
The canonical SMILES for 2-cyclopropyl-3-methyl-1-(2-methylbutyl)aziridine is CCC(C)CN1C(C)C1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-methyl-1-(2-methylbutyl)aziridine?
The InChIKey is SXMXJLCLQSREIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-8(2)7-12-9(3)11(12)10-5-6-10/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-methyl-1-(2-methylbutyl)aziridine?
2-cyclopropyl-3-methyl-1-(2-methylbutyl)aziridine has a molecular weight of 167.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-methyl-1-(2-methylbutyl)aziridine is sourced from PubChem (CID 123745640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).