N-cyclopropyl-2-(3-fluoropropylamino)propanamide

C9H17FN2O — CID 115731798

IUPACN-cyclopropyl-2-(3-fluoropropylamino)propanamide
SMILESCC(NCCCF)C(=O)NC1CC1
InChIInChI=1S/C9H17FN2O/c1-7(11-6-2-5-10)9(13)12-8-3-4-8/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyPIRPJZPBUQEPPX-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.60
Rot. Bonds6

About N-cyclopropyl-2-(3-fluoropropylamino)propanamide

N-cyclopropyl-2-(3-fluoropropylamino)propanamide (PubChem CID 115731798) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-fluoropropylamino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-fluoropropylamino)propanamide
PubChem CID115731798
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC NameN-cyclopropyl-2-(3-fluoropropylamino)propanamide
SMILESCC(NCCCF)C(=O)NC1CC1
InChIInChI=1S/C9H17FN2O/c1-7(11-6-2-5-10)9(13)12-8-3-4-8/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyPIRPJZPBUQEPPX-UHFFFAOYSA-N
XLogP0.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.60
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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Related Compounds

N-cyclopropyl-2-(6-hydroxyhexylamino)propanamide
CID 107703590
2-(butylamino)-N-cyclopentylpropanamide
CID 43083458
N-cyclopropyl-2-[4-(2-methoxyethoxy)butylamino]propanamide
CID 113248240
N-cyclopropyl-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394773
(2R)-N-cyclohexyl-2-(hexylamino)propanamide
CID 95357979
N-cyclopropyl-2-[2-(3-methoxypropoxy)ethylamino]propanamide
CID 103179410
N-cyclohexyl-2-[(5-hydroxy-4-methylpentyl)amino]propanamide
CID 106160233
N-cyclohexyl-2-(pent-4-ynylamino)propanamide
CID 103711279
(2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 94827893
2-(but-2-ynylamino)-N-cyclopropylpropanamide
CID 115865749
2-(3-butoxypropylamino)-N-cyclohexylpropanamide
CID 115569811
N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide
CID 115600082

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-fluoropropylamino)propanamide?
The IUPAC name of N-cyclopropyl-2-(3-fluoropropylamino)propanamide (CID 115731798) is N-cyclopropyl-2-(3-fluoropropylamino)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(3-fluoropropylamino)propanamide?
The canonical SMILES for N-cyclopropyl-2-(3-fluoropropylamino)propanamide is CC(NCCCF)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(3-fluoropropylamino)propanamide?
The InChIKey is PIRPJZPBUQEPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-7(11-6-2-5-10)9(13)12-8-3-4-8/h7-8,11H,2-6H2,1H3,(H,12,13).
What are the key properties of N-cyclopropyl-2-(3-fluoropropylamino)propanamide?
N-cyclopropyl-2-(3-fluoropropylamino)propanamide has a molecular weight of 188.25 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-fluoropropylamino)propanamide is sourced from PubChem (CID 115731798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).