2-hexan-2-yl-1-methylaziridine

C9H19N — CID 123674057

IUPAC2-hexan-2-yl-1-methylaziridine
SMILESCCCCC(C)C1CN1C
InChIInChI=1S/C9H19N/c1-4-5-6-8(2)9-7-10(9)3/h8-9H,4-7H2,1-3H3
InChIKeyRLWZZFXSZCTMBV-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.13
Rot. Bonds4

About 2-hexan-2-yl-1-methylaziridine

2-hexan-2-yl-1-methylaziridine (PubChem CID 123674057) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2-hexan-2-yl-1-methylaziridine.

Molecular Properties

Compound Name2-hexan-2-yl-1-methylaziridine
PubChem CID123674057
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2-hexan-2-yl-1-methylaziridine
SMILESCCCCC(C)C1CN1C
InChIInChI=1S/C9H19N/c1-4-5-6-8(2)9-7-10(9)3/h8-9H,4-7H2,1-3H3
InChIKeyRLWZZFXSZCTMBV-UHFFFAOYSA-N
XLogP2.13
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.13
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 2-hexan-2-yl-1-methylaziridine?
The IUPAC name of 2-hexan-2-yl-1-methylaziridine (CID 123674057) is 2-hexan-2-yl-1-methylaziridine.
What is the SMILES notation for 2-hexan-2-yl-1-methylaziridine?
The canonical SMILES for 2-hexan-2-yl-1-methylaziridine is CCCCC(C)C1CN1C.
What is the InChIKey of 2-hexan-2-yl-1-methylaziridine?
The InChIKey is RLWZZFXSZCTMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-5-6-8(2)9-7-10(9)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-hexan-2-yl-1-methylaziridine?
2-hexan-2-yl-1-methylaziridine has a molecular weight of 141.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-2-yl-1-methylaziridine is sourced from PubChem (CID 123674057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).