N-[7-(2-fluoropropylamino)heptan-3-yl]pyrrolidine-1-carboxamide

C15H30FN3O — CID 123555608

IUPACN-[7-(2-fluoropropylamino)heptan-3-yl]pyrrolidine-1-carboxamide
SMILESCCC(CCCCNCC(C)F)NC(=O)N1CCCC1
InChIInChI=1S/C15H30FN3O/c1-3-14(8-4-5-9-17-12-13(2)16)18-15(20)19-10-6-7-11-19/h13-14,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyXTCIQRXXWFHQOH-UHFFFAOYSA-N
MW287.42 g/mol
LogP2.69
Rot. Bonds9

About N-[7-(2-fluoropropylamino)heptan-3-yl]pyrrolidine-1-carboxamide

N-[7-(2-fluoropropylamino)heptan-3-yl]pyrrolidine-1-carboxamide (PubChem CID 123555608) has the molecular formula C15H30FN3O and a molecular weight of 287.42 g/mol. Its IUPAC name is N-[7-(2-fluoropropylamino)heptan-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[7-(2-fluoropropylamino)heptan-3-yl]pyrrolidine-1-carboxamide
PubChem CID123555608
Molecular FormulaC15H30FN3O
Molecular Weight287.42 g/mol
Exact Mass287.24
IUPAC NameN-[7-(2-fluoropropylamino)heptan-3-yl]pyrrolidine-1-carboxamide
SMILESCCC(CCCCNCC(C)F)NC(=O)N1CCCC1
InChIInChI=1S/C15H30FN3O/c1-3-14(8-4-5-9-17-12-13(2)16)18-15(20)19-10-6-7-11-19/h13-14,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyXTCIQRXXWFHQOH-UHFFFAOYSA-N
XLogP2.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-[7-(2-fluoropropylamino)heptan-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[7-(2-fluoropropylamino)heptan-3-yl]pyrrolidine-1-carboxamide (CID 123555608) is N-[7-(2-fluoropropylamino)heptan-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[7-(2-fluoropropylamino)heptan-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[7-(2-fluoropropylamino)heptan-3-yl]pyrrolidine-1-carboxamide is CCC(CCCCNCC(C)F)NC(=O)N1CCCC1.
What is the InChIKey of N-[7-(2-fluoropropylamino)heptan-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is XTCIQRXXWFHQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30FN3O/c1-3-14(8-4-5-9-17-12-13(2)16)18-15(20)19-10-6-7-11-19/h13-14,17H,3-12H2,1-2H3,(H,18,20).
What are the key properties of N-[7-(2-fluoropropylamino)heptan-3-yl]pyrrolidine-1-carboxamide?
N-[7-(2-fluoropropylamino)heptan-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 287.42 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-fluoropropylamino)heptan-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 123555608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).