fluoro(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine

C8H15FN2 — CID 176776273

IUPACfluoro(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine
SMILESNC(F)C1CC2CCCN2C1
InChIInChI=1S/C8H15FN2/c9-8(10)6-4-7-2-1-3-11(7)5-6/h6-8H,1-5,10H2
InChIKeyLKXJQFYYTKYZIL-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.73
Rot. Bonds1

About fluoro(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine

fluoro(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine (PubChem CID 176776273) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is fluoro(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine.

Molecular Properties

Compound Namefluoro(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine
PubChem CID176776273
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Namefluoro(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine
SMILESNC(F)C1CC2CCCN2C1
InChIInChI=1S/C8H15FN2/c9-8(10)6-4-7-2-1-3-11(7)5-6/h6-8H,1-5,10H2
InChIKeyLKXJQFYYTKYZIL-UHFFFAOYSA-N
XLogP0.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6,7,8-hexahydro-1H-pyrrolizine-2-carbothioamide
CID 18941091
2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 59036114
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)propan-1-amine
CID 83906713
1-(3-propan-2-ylcyclohexyl)piperidin-3-amine
CID 107449487
1-[1-(3-methylcyclohexyl)pyrrolidin-3-yl]ethanamine
CID 103975545
1-cycloheptyl-3-propan-2-ylpiperidine
CID 163393179
(2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide
CID 95240709
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexan-1-amine
CID 79469057
(2R,8aS)-N'-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboximidamide
CID 95240707
1-(1-cyclooctylpyrrolidin-3-yl)ethanamine
CID 103975759
1-[1-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]ethanamine
CID 64754901
1-cyclopropyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
CID 79938013

Frequently Asked Questions

What is the IUPAC name of fluoro(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine?
The IUPAC name of fluoro(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine (CID 176776273) is fluoro(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine.
What is the SMILES notation for fluoro(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine?
The canonical SMILES for fluoro(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine is NC(F)C1CC2CCCN2C1.
What is the InChIKey of fluoro(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine?
The InChIKey is LKXJQFYYTKYZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c9-8(10)6-4-7-2-1-3-11(7)5-6/h6-8H,1-5,10H2.
What are the key properties of fluoro(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine?
fluoro(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine has a molecular weight of 158.22 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl)methanamine is sourced from PubChem (CID 176776273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).