3-ethylbicyclo[1.1.1]pentan-1-amine

C7H13N — CID 130330393

IUPAC3-ethylbicyclo[1.1.1]pentan-1-amine
SMILESCCC12CC(N)(C1)C2
InChIInChI=1S/C7H13N/c1-2-6-3-7(8,4-6)5-6/h2-5,8H2,1H3
InChIKeyPXZSLSBCPFASST-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.28
Rot. Bonds1

About 3-ethylbicyclo[1.1.1]pentan-1-amine

3-ethylbicyclo[1.1.1]pentan-1-amine (PubChem CID 130330393) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-ethylbicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name3-ethylbicyclo[1.1.1]pentan-1-amine
PubChem CID130330393
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-ethylbicyclo[1.1.1]pentan-1-amine
SMILESCCC12CC(N)(C1)C2
InChIInChI=1S/C7H13N/c1-2-6-3-7(8,4-6)5-6/h2-5,8H2,1H3
InChIKeyPXZSLSBCPFASST-UHFFFAOYSA-N
XLogP1.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethylbicyclo[1.1.1]pentan-1-amine?
The IUPAC name of 3-ethylbicyclo[1.1.1]pentan-1-amine (CID 130330393) is 3-ethylbicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for 3-ethylbicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for 3-ethylbicyclo[1.1.1]pentan-1-amine is CCC12CC(N)(C1)C2.
What is the InChIKey of 3-ethylbicyclo[1.1.1]pentan-1-amine?
The InChIKey is PXZSLSBCPFASST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-2-6-3-7(8,4-6)5-6/h2-5,8H2,1H3.
What are the key properties of 3-ethylbicyclo[1.1.1]pentan-1-amine?
3-ethylbicyclo[1.1.1]pentan-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylbicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 130330393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).