(9-fluoro-3-azaspiro[5.5]undecan-9-yl)methanamine

C11H21FN2 — CID 155895656

IUPAC(9-fluoro-3-azaspiro[5.5]undecan-9-yl)methanamine
SMILESNCC1(F)CCC2(CCNCC2)CC1
InChIInChI=1S/C11H21FN2/c12-11(9-13)3-1-10(2-4-11)5-7-14-8-6-10/h14H,1-9,13H2
InChIKeyYTUZHMZTJWDZCI-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.60
Rot. Bonds1

About (9-fluoro-3-azaspiro[5.5]undecan-9-yl)methanamine

(9-fluoro-3-azaspiro[5.5]undecan-9-yl)methanamine (PubChem CID 155895656) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is (9-fluoro-3-azaspiro[5.5]undecan-9-yl)methanamine.

Molecular Properties

Compound Name(9-fluoro-3-azaspiro[5.5]undecan-9-yl)methanamine
PubChem CID155895656
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name(9-fluoro-3-azaspiro[5.5]undecan-9-yl)methanamine
SMILESNCC1(F)CCC2(CCNCC2)CC1
InChIInChI=1S/C11H21FN2/c12-11(9-13)3-1-10(2-4-11)5-7-14-8-6-10/h14H,1-9,13H2
InChIKeyYTUZHMZTJWDZCI-UHFFFAOYSA-N
XLogP1.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9-fluoro-3-azaspiro[5.5]undecan-9-yl)methanamine?
The IUPAC name of (9-fluoro-3-azaspiro[5.5]undecan-9-yl)methanamine (CID 155895656) is (9-fluoro-3-azaspiro[5.5]undecan-9-yl)methanamine.
What is the SMILES notation for (9-fluoro-3-azaspiro[5.5]undecan-9-yl)methanamine?
The canonical SMILES for (9-fluoro-3-azaspiro[5.5]undecan-9-yl)methanamine is NCC1(F)CCC2(CCNCC2)CC1.
What is the InChIKey of (9-fluoro-3-azaspiro[5.5]undecan-9-yl)methanamine?
The InChIKey is YTUZHMZTJWDZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c12-11(9-13)3-1-10(2-4-11)5-7-14-8-6-10/h14H,1-9,13H2.
What are the key properties of (9-fluoro-3-azaspiro[5.5]undecan-9-yl)methanamine?
(9-fluoro-3-azaspiro[5.5]undecan-9-yl)methanamine has a molecular weight of 200.30 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-fluoro-3-azaspiro[5.5]undecan-9-yl)methanamine is sourced from PubChem (CID 155895656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).