1-(4-azaspiro[2.5]octan-4-yl)-1-(5-fluoro-2-imino-1-pyridinyl)-N-methylmethanamine

C14H21FN4 — CID 123848018

IUPAC1-(4-azaspiro[2.5]octan-4-yl)-1-(5-fluoro-2-imino-1-pyridinyl)-N-methylmethanamine
SMILES[H]/N=c1\ccc(F)cn1C(NC)N1CCCCC12CC2
InChIInChI=1S/C14H21FN4/c1-17-13(18-10-11(15)4-5-12(18)16)19-9-3-2-6-14(19)7-8-14/h4-5,10,13,16-17H,2-3,6-9H2,1H3/b16-12+
InChIKeyBGIVOMFAKNIPBV-FOWTUZBSSA-N
MW264.35 g/mol
LogP1.80
Rot. Bonds3

About 1-(4-azaspiro[2.5]octan-4-yl)-1-(5-fluoro-2-imino-1-pyridinyl)-N-methylmethanamine

1-(4-azaspiro[2.5]octan-4-yl)-1-(5-fluoro-2-imino-1-pyridinyl)-N-methylmethanamine (PubChem CID 123848018) has the molecular formula C14H21FN4 and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(4-azaspiro[2.5]octan-4-yl)-1-(5-fluoro-2-imino-1-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-azaspiro[2.5]octan-4-yl)-1-(5-fluoro-2-imino-1-pyridinyl)-N-methylmethanamine
PubChem CID123848018
Molecular FormulaC14H21FN4
Molecular Weight264.35 g/mol
Exact Mass264.18
IUPAC Name1-(4-azaspiro[2.5]octan-4-yl)-1-(5-fluoro-2-imino-1-pyridinyl)-N-methylmethanamine
SMILES[H]/N=c1\ccc(F)cn1C(NC)N1CCCCC12CC2
InChIInChI=1S/C14H21FN4/c1-17-13(18-10-11(15)4-5-12(18)16)19-9-3-2-6-14(19)7-8-14/h4-5,10,13,16-17H,2-3,6-9H2,1H3/b16-12+
InChIKeyBGIVOMFAKNIPBV-FOWTUZBSSA-N
XLogP1.80
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-azaspiro[2.5]octan-4-yl)-1-(5-fluoro-2-imino-1-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(4-azaspiro[2.5]octan-4-yl)-1-(5-fluoro-2-imino-1-pyridinyl)-N-methylmethanamine (CID 123848018) is 1-(4-azaspiro[2.5]octan-4-yl)-1-(5-fluoro-2-imino-1-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-azaspiro[2.5]octan-4-yl)-1-(5-fluoro-2-imino-1-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-azaspiro[2.5]octan-4-yl)-1-(5-fluoro-2-imino-1-pyridinyl)-N-methylmethanamine is [H]/N=c1\ccc(F)cn1C(NC)N1CCCCC12CC2.
What is the InChIKey of 1-(4-azaspiro[2.5]octan-4-yl)-1-(5-fluoro-2-imino-1-pyridinyl)-N-methylmethanamine?
The InChIKey is BGIVOMFAKNIPBV-FOWTUZBSSA-N. The full InChI is InChI=1S/C14H21FN4/c1-17-13(18-10-11(15)4-5-12(18)16)19-9-3-2-6-14(19)7-8-14/h4-5,10,13,16-17H,2-3,6-9H2,1H3/b16-12+.
What are the key properties of 1-(4-azaspiro[2.5]octan-4-yl)-1-(5-fluoro-2-imino-1-pyridinyl)-N-methylmethanamine?
1-(4-azaspiro[2.5]octan-4-yl)-1-(5-fluoro-2-imino-1-pyridinyl)-N-methylmethanamine has a molecular weight of 264.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-azaspiro[2.5]octan-4-yl)-1-(5-fluoro-2-imino-1-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 123848018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).