3-cycloheptylaziridin-2-amine

C9H18N2 — CID 134511492

IUPAC3-cycloheptylaziridin-2-amine
SMILESNC1NC1C1CCCCCC1
InChIInChI=1S/C9H18N2/c10-9-8(11-9)7-5-3-1-2-4-6-7/h7-9,11H,1-6,10H2
InChIKeyLWHUEQWUQUFHGG-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.21
Rot. Bonds1

About 3-cycloheptylaziridin-2-amine

3-cycloheptylaziridin-2-amine (PubChem CID 134511492) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-cycloheptylaziridin-2-amine.

Molecular Properties

Compound Name3-cycloheptylaziridin-2-amine
PubChem CID134511492
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-cycloheptylaziridin-2-amine
SMILESNC1NC1C1CCCCCC1
InChIInChI=1S/C9H18N2/c10-9-8(11-9)7-5-3-1-2-4-6-7/h7-9,11H,1-6,10H2
InChIKeyLWHUEQWUQUFHGG-UHFFFAOYSA-N
XLogP1.21
TPSA47.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-cycloheptylaziridin-2-amine?
The IUPAC name of 3-cycloheptylaziridin-2-amine (CID 134511492) is 3-cycloheptylaziridin-2-amine.
What is the SMILES notation for 3-cycloheptylaziridin-2-amine?
The canonical SMILES for 3-cycloheptylaziridin-2-amine is NC1NC1C1CCCCCC1.
What is the InChIKey of 3-cycloheptylaziridin-2-amine?
The InChIKey is LWHUEQWUQUFHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c10-9-8(11-9)7-5-3-1-2-4-6-7/h7-9,11H,1-6,10H2.
What are the key properties of 3-cycloheptylaziridin-2-amine?
3-cycloheptylaziridin-2-amine has a molecular weight of 154.26 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptylaziridin-2-amine is sourced from PubChem (CID 134511492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).