N-[2-(aziridin-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C11H20N2 — CID 580056

IUPACN-[2-(aziridin-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESC(CN1CC1)NC1CC2CCC1C2
InChIInChI=1S/C11H20N2/c1-2-10-7-9(1)8-11(10)12-3-4-13-5-6-13/h9-12H,1-8H2
InChIKeyXDUOBCHYSKHHLD-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.08
Rot. Bonds4

About N-[2-(aziridin-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

N-[2-(aziridin-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 580056) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-[2-(aziridin-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(aziridin-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID580056
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-[2-(aziridin-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESC(CN1CC1)NC1CC2CCC1C2
InChIInChI=1S/C11H20N2/c1-2-10-7-9(1)8-11(10)12-3-4-13-5-6-13/h9-12H,1-8H2
InChIKeyXDUOBCHYSKHHLD-UHFFFAOYSA-N
XLogP1.08
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
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 N-[2-(aziridin-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[2-(aziridin-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 580056) is N-[2-(aziridin-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[2-(aziridin-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[2-(aziridin-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is C(CN1CC1)NC1CC2CCC1C2.
What is the InChIKey of N-[2-(aziridin-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is XDUOBCHYSKHHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-10-7-9(1)8-11(10)12-3-4-13-5-6-13/h9-12H,1-8H2.
What are the key properties of N-[2-(aziridin-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
N-[2-(aziridin-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 180.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aziridin-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 580056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).