1-[(3-fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C10H18FN3O — CID 162459705

IUPAC1-[(3-fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2(CNCCCF)N1
InChIInChI=1S/C10H18FN3O/c11-2-1-3-13-6-10-5-7(10)4-8(14-10)9(12)15/h7-8,13-14H,1-6H2,(H2,12,15)
InChIKeyRTEWFEAPAZJYRD-UHFFFAOYSA-N
MW215.27 g/mol
LogP-0.46
Rot. Bonds6

About 1-[(3-fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

1-[(3-fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 162459705) has the molecular formula C10H18FN3O and a molecular weight of 215.27 g/mol. Its IUPAC name is 1-[(3-fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name1-[(3-fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID162459705
Molecular FormulaC10H18FN3O
Molecular Weight215.27 g/mol
Exact Mass215.14
IUPAC Name1-[(3-fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)C1CC2CC2(CNCCCF)N1
InChIInChI=1S/C10H18FN3O/c11-2-1-3-13-6-10-5-7(10)4-8(14-10)9(12)15/h7-8,13-14H,1-6H2,(H2,12,15)
InChIKeyRTEWFEAPAZJYRD-UHFFFAOYSA-N
XLogP-0.46
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,3S,5S)-2-Azabicyclo(3.1.0)hexane-3-carboxamide
CID 11506821
2-Azabicyclo(3.1.0)hexane-3-carboxamide, (1S,3S,5S)-
CID 21094662
(5S,10S)-9-(cyclopropylmethyl)-10-ethyl-1,9-diazaspiro[4.5]decan-2-one
CID 97375545
4,5-Methano-l-proline amide
CID 21338924
(1R,3S,5R)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90019969
(1R,3S,5R)-N-(2,2-difluorocyclohexyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 90020449
1-Fluoro-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 123996987
(1R,3S,5R)-2-Aza-bicyclo[3.1.0]hexane-3-carboxylic acid ((1R,3S)-3-trifluoromethyl-cyclohexyl)-amide hydrochloride
CID 131742548
(2S)-4-butyl-4-fluoropyrrolidine-2-carboxamide
CID 153177317
1-(3-Fluoropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459682
1-[(4,4-Difluoropiperidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459704
1-[(3,3-Difluoroazetidin-1-yl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 162459706

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 1-[(3-fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 162459705) is 1-[(3-fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 1-[(3-fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 1-[(3-fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is NC(=O)C1CC2CC2(CNCCCF)N1.
What is the InChIKey of 1-[(3-fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is RTEWFEAPAZJYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3O/c11-2-1-3-13-6-10-5-7(10)4-8(14-10)9(12)15/h7-8,13-14H,1-6H2,(H2,12,15).
What are the key properties of 1-[(3-fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
1-[(3-fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 215.27 g/mol, XLogP of -0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoropropylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 162459705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).