3-(3-fluoropropyl)-3-azabicyclo[3.1.1]heptan-6-amine

C9H17FN2 — CID 130815129

IUPAC3-(3-fluoropropyl)-3-azabicyclo[3.1.1]heptan-6-amine
SMILESNC1C2CC1CN(CCCF)C2
InChIInChI=1S/C9H17FN2/c10-2-1-3-12-5-7-4-8(6-12)9(7)11/h7-9H,1-6,11H2
InChIKeyCECULDTUPVZLRO-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.62
Rot. Bonds3

About 3-(3-fluoropropyl)-3-azabicyclo[3.1.1]heptan-6-amine

3-(3-fluoropropyl)-3-azabicyclo[3.1.1]heptan-6-amine (PubChem CID 130815129) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-(3-fluoropropyl)-3-azabicyclo[3.1.1]heptan-6-amine.

Molecular Properties

Compound Name3-(3-fluoropropyl)-3-azabicyclo[3.1.1]heptan-6-amine
PubChem CID130815129
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name3-(3-fluoropropyl)-3-azabicyclo[3.1.1]heptan-6-amine
SMILESNC1C2CC1CN(CCCF)C2
InChIInChI=1S/C9H17FN2/c10-2-1-3-12-5-7-4-8(6-12)9(7)11/h7-9H,1-6,11H2
InChIKeyCECULDTUPVZLRO-UHFFFAOYSA-N
XLogP0.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropyl)-3-azabicyclo[3.1.1]heptan-6-amine?
The IUPAC name of 3-(3-fluoropropyl)-3-azabicyclo[3.1.1]heptan-6-amine (CID 130815129) is 3-(3-fluoropropyl)-3-azabicyclo[3.1.1]heptan-6-amine.
What is the SMILES notation for 3-(3-fluoropropyl)-3-azabicyclo[3.1.1]heptan-6-amine?
The canonical SMILES for 3-(3-fluoropropyl)-3-azabicyclo[3.1.1]heptan-6-amine is NC1C2CC1CN(CCCF)C2.
What is the InChIKey of 3-(3-fluoropropyl)-3-azabicyclo[3.1.1]heptan-6-amine?
The InChIKey is CECULDTUPVZLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c10-2-1-3-12-5-7-4-8(6-12)9(7)11/h7-9H,1-6,11H2.
What are the key properties of 3-(3-fluoropropyl)-3-azabicyclo[3.1.1]heptan-6-amine?
3-(3-fluoropropyl)-3-azabicyclo[3.1.1]heptan-6-amine has a molecular weight of 172.25 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)-3-azabicyclo[3.1.1]heptan-6-amine is sourced from PubChem (CID 130815129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).