N-[(4-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine

C16H22FN3 — CID 46389041

IUPACN-[(4-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine
SMILESFc1ccc(CNC2=NCCNC23CCCCC3)cc1
InChIInChI=1S/C16H22FN3/c17-14-6-4-13(5-7-14)12-19-15-16(20-11-10-18-15)8-2-1-3-9-16/h4-7,20H,1-3,8-12H2,(H,18,19)
InChIKeyFZCXGRFDOIOELP-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.62
Rot. Bonds2

About N-[(4-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine

N-[(4-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine (PubChem CID 46389041) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine
PubChem CID46389041
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[(4-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine
SMILESFc1ccc(CNC2=NCCNC23CCCCC3)cc1
InChIInChI=1S/C16H22FN3/c17-14-6-4-13(5-7-14)12-19-15-16(20-11-10-18-15)8-2-1-3-9-16/h4-7,20H,1-3,8-12H2,(H,18,19)
InChIKeyFZCXGRFDOIOELP-UHFFFAOYSA-N
XLogP2.62
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine (CID 46389041) is N-[(4-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine is Fc1ccc(CNC2=NCCNC23CCCCC3)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine?
The InChIKey is FZCXGRFDOIOELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c17-14-6-4-13(5-7-14)12-19-15-16(20-11-10-18-15)8-2-1-3-9-16/h4-7,20H,1-3,8-12H2,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine?
N-[(4-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine has a molecular weight of 275.37 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undec-4-en-5-amine is sourced from PubChem (CID 46389041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).