3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine

C9H16N2 — CID 47003630

IUPAC3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine
SMILESNC1C2CC1CN(C1CC1)C2
InChIInChI=1S/C9H16N2/c10-9-6-3-7(9)5-11(4-6)8-1-2-8/h6-9H,1-5,10H2
InChIKeyVXCGREQEIZWXFW-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.43
Rot. Bonds1

About 3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine

3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine (PubChem CID 47003630) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine.

Molecular Properties

Compound Name3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine
PubChem CID47003630
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine
SMILESNC1C2CC1CN(C1CC1)C2
InChIInChI=1S/C9H16N2/c10-9-6-3-7(9)5-11(4-6)8-1-2-8/h6-9H,1-5,10H2
InChIKeyVXCGREQEIZWXFW-UHFFFAOYSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine?
The IUPAC name of 3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine (CID 47003630) is 3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine.
What is the SMILES notation for 3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine?
The canonical SMILES for 3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine is NC1C2CC1CN(C1CC1)C2.
What is the InChIKey of 3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine?
The InChIKey is VXCGREQEIZWXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c10-9-6-3-7(9)5-11(4-6)8-1-2-8/h6-9H,1-5,10H2.
What are the key properties of 3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine?
3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine has a molecular weight of 152.24 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine is sourced from PubChem (CID 47003630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).