(7S)-5-(3-fluoropropyl)-5-azaspiro[2.4]heptan-7-amine

C9H17FN2 — CID 155904863

IUPAC(7S)-5-(3-fluoropropyl)-5-azaspiro[2.4]heptan-7-amine
SMILESN[C@@H]1CN(CCCF)CC12CC2
InChIInChI=1S/C9H17FN2/c10-4-1-5-12-6-8(11)9(7-12)2-3-9/h8H,1-7,11H2/t8-/m1/s1
InChIKeyNJKQUPMRGDTFOQ-MRVPVSSYSA-N
MW172.25 g/mol
LogP0.77
Rot. Bonds3

About (7S)-5-(3-fluoropropyl)-5-azaspiro[2.4]heptan-7-amine

(7S)-5-(3-fluoropropyl)-5-azaspiro[2.4]heptan-7-amine (PubChem CID 155904863) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is (7S)-5-(3-fluoropropyl)-5-azaspiro[2.4]heptan-7-amine.

Molecular Properties

Compound Name(7S)-5-(3-fluoropropyl)-5-azaspiro[2.4]heptan-7-amine
PubChem CID155904863
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name(7S)-5-(3-fluoropropyl)-5-azaspiro[2.4]heptan-7-amine
SMILESN[C@@H]1CN(CCCF)CC12CC2
InChIInChI=1S/C9H17FN2/c10-4-1-5-12-6-8(11)9(7-12)2-3-9/h8H,1-7,11H2/t8-/m1/s1
InChIKeyNJKQUPMRGDTFOQ-MRVPVSSYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-5-(3-fluoropropyl)-5-azaspiro[2.4]heptan-7-amine?
The IUPAC name of (7S)-5-(3-fluoropropyl)-5-azaspiro[2.4]heptan-7-amine (CID 155904863) is (7S)-5-(3-fluoropropyl)-5-azaspiro[2.4]heptan-7-amine.
What is the SMILES notation for (7S)-5-(3-fluoropropyl)-5-azaspiro[2.4]heptan-7-amine?
The canonical SMILES for (7S)-5-(3-fluoropropyl)-5-azaspiro[2.4]heptan-7-amine is N[C@@H]1CN(CCCF)CC12CC2.
What is the InChIKey of (7S)-5-(3-fluoropropyl)-5-azaspiro[2.4]heptan-7-amine?
The InChIKey is NJKQUPMRGDTFOQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17FN2/c10-4-1-5-12-6-8(11)9(7-12)2-3-9/h8H,1-7,11H2/t8-/m1/s1.
What are the key properties of (7S)-5-(3-fluoropropyl)-5-azaspiro[2.4]heptan-7-amine?
(7S)-5-(3-fluoropropyl)-5-azaspiro[2.4]heptan-7-amine has a molecular weight of 172.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-(3-fluoropropyl)-5-azaspiro[2.4]heptan-7-amine is sourced from PubChem (CID 155904863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).