3-propan-2-ylbicyclo[1.1.1]pentan-1-amine

C8H15N — CID 118941204

IUPAC3-propan-2-ylbicyclo[1.1.1]pentan-1-amine
SMILESCC(C)C12CC(N)(C1)C2
InChIInChI=1S/C8H15N/c1-6(2)7-3-8(9,4-7)5-7/h6H,3-5,9H2,1-2H3
InChIKeyNVQUBLNEHNOLSL-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.52
Rot. Bonds1

About 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine

3-propan-2-ylbicyclo[1.1.1]pentan-1-amine (PubChem CID 118941204) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name3-propan-2-ylbicyclo[1.1.1]pentan-1-amine
PubChem CID118941204
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-propan-2-ylbicyclo[1.1.1]pentan-1-amine
SMILESCC(C)C12CC(N)(C1)C2
InChIInChI=1S/C8H15N/c1-6(2)7-3-8(9,4-7)5-7/h6H,3-5,9H2,1-2H3
InChIKeyNVQUBLNEHNOLSL-UHFFFAOYSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine?
The IUPAC name of 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine (CID 118941204) is 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine is CC(C)C12CC(N)(C1)C2.
What is the InChIKey of 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine?
The InChIKey is NVQUBLNEHNOLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6(2)7-3-8(9,4-7)5-7/h6H,3-5,9H2,1-2H3.
What are the key properties of 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine?
3-propan-2-ylbicyclo[1.1.1]pentan-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylbicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 118941204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).