3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]pentan-1-amine

C24H46FN3 — CID 171748521

IUPAC3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]pentan-1-amine
SMILESCCC(F)(CCNCC1(CC(C)C)CC1)CN1CC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C24H46FN3/c1-6-24(25,9-12-26-16-22(7-8-22)15-20(2)3)19-27-17-23(18-27)10-13-28(14-11-23)21(4)5/h20-21,26H,6-19H2,1-5H3
InChIKeyHBDBQXXFKLUOGZ-UHFFFAOYSA-N
MW395.65 g/mol
LogP4.72
Rot. Bonds11

About 3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]pentan-1-amine

3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]pentan-1-amine (PubChem CID 171748521) has the molecular formula C24H46FN3 and a molecular weight of 395.65 g/mol. Its IUPAC name is 3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]pentan-1-amine
PubChem CID171748521
Molecular FormulaC24H46FN3
Molecular Weight395.65 g/mol
Exact Mass395.37
IUPAC Name3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]pentan-1-amine
SMILESCCC(F)(CCNCC1(CC(C)C)CC1)CN1CC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C24H46FN3/c1-6-24(25,9-12-26-16-22(7-8-22)15-20(2)3)19-27-17-23(18-27)10-13-28(14-11-23)21(4)5/h20-21,26H,6-19H2,1-5H3
InChIKeyHBDBQXXFKLUOGZ-UHFFFAOYSA-N
XLogP4.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.65
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]pentan-1-amine?
The IUPAC name of 3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]pentan-1-amine (CID 171748521) is 3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for 3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]pentan-1-amine?
The canonical SMILES for 3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]pentan-1-amine is CCC(F)(CCNCC1(CC(C)C)CC1)CN1CC2(CCN(C(C)C)CC2)C1.
What is the InChIKey of 3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]pentan-1-amine?
The InChIKey is HBDBQXXFKLUOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46FN3/c1-6-24(25,9-12-26-16-22(7-8-22)15-20(2)3)19-27-17-23(18-27)10-13-28(14-11-23)21(4)5/h20-21,26H,6-19H2,1-5H3.
What are the key properties of 3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]pentan-1-amine?
3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]pentan-1-amine has a molecular weight of 395.65 g/mol, XLogP of 4.72, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-[(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 171748521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).