(3S)-2-(fluoroamino)-3-methyl-N-(2-methylidenehex-5-enyl)pentanamide

C13H23FN2O — CID 142561248

IUPAC(3S)-2-(fluoroamino)-3-methyl-N-(2-methylidenehex-5-enyl)pentanamide
SMILESC=CCCC(=C)CNC(=O)C(NF)[C@@H](C)CC
InChIInChI=1S/C13H23FN2O/c1-5-7-8-10(3)9-15-13(17)12(16-14)11(4)6-2/h5,11-12,16H,1,3,6-9H2,2,4H3,(H,15,17)/t11-,12?/m0/s1
InChIKeyBIDZWYBNDUABCY-PXYINDEMSA-N
MW242.34 g/mol
LogP2.51
Rot. Bonds9

About (3S)-2-(fluoroamino)-3-methyl-N-(2-methylidenehex-5-enyl)pentanamide

(3S)-2-(fluoroamino)-3-methyl-N-(2-methylidenehex-5-enyl)pentanamide (PubChem CID 142561248) has the molecular formula C13H23FN2O and a molecular weight of 242.34 g/mol. Its IUPAC name is (3S)-2-(fluoroamino)-3-methyl-N-(2-methylidenehex-5-enyl)pentanamide.

Molecular Properties

Compound Name(3S)-2-(fluoroamino)-3-methyl-N-(2-methylidenehex-5-enyl)pentanamide
PubChem CID142561248
Molecular FormulaC13H23FN2O
Molecular Weight242.34 g/mol
Exact Mass242.18
IUPAC Name(3S)-2-(fluoroamino)-3-methyl-N-(2-methylidenehex-5-enyl)pentanamide
SMILESC=CCCC(=C)CNC(=O)C(NF)[C@@H](C)CC
InChIInChI=1S/C13H23FN2O/c1-5-7-8-10(3)9-15-13(17)12(16-14)11(4)6-2/h5,11-12,16H,1,3,6-9H2,2,4H3,(H,15,17)/t11-,12?/m0/s1
InChIKeyBIDZWYBNDUABCY-PXYINDEMSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2-amino-1-(5,6-dihydropyridin-1(2H)-yl)-3-methylpentan-1-one
CID 10774283
2-Amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-pentan-1-one
CID 44364213
2-Amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one
CID 145955754
(2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide
CID 134988377
(2S,3R)-2-amino-3-methyl-1-(3-methylidenepyrrolidin-1-yl)pentan-1-one
CID 127046591
(2S)-2-amino-N-hex-5-enyl-3,3-dimethylbutanamide
CID 11745942
(2S)-2-amino-N-[(2S)-1-cyclohexylbut-3-en-2-yl]-3-methylbutanamide
CID 15015811
(2S)-2-amino-4-methyl-N-prop-2-enylpentanamide;hydrochloride
CID 20596390
(2S)-2-amino-4-methyl-N-prop-2-enylpentanamide
CID 20596391
4-methyl-N-propan-2-yl-2-prop-2-enylpent-4-enamide
CID 21366275
(2S)-2-amino-N-(1-cyclohexylbut-3-en-2-yl)-3-methylbutanamide
CID 22854492
2-isocyano-4-methyl-N-prop-2-enylpentanamide
CID 55265314

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(fluoroamino)-3-methyl-N-(2-methylidenehex-5-enyl)pentanamide?
The IUPAC name of (3S)-2-(fluoroamino)-3-methyl-N-(2-methylidenehex-5-enyl)pentanamide (CID 142561248) is (3S)-2-(fluoroamino)-3-methyl-N-(2-methylidenehex-5-enyl)pentanamide.
What is the SMILES notation for (3S)-2-(fluoroamino)-3-methyl-N-(2-methylidenehex-5-enyl)pentanamide?
The canonical SMILES for (3S)-2-(fluoroamino)-3-methyl-N-(2-methylidenehex-5-enyl)pentanamide is C=CCCC(=C)CNC(=O)C(NF)[C@@H](C)CC.
What is the InChIKey of (3S)-2-(fluoroamino)-3-methyl-N-(2-methylidenehex-5-enyl)pentanamide?
The InChIKey is BIDZWYBNDUABCY-PXYINDEMSA-N. The full InChI is InChI=1S/C13H23FN2O/c1-5-7-8-10(3)9-15-13(17)12(16-14)11(4)6-2/h5,11-12,16H,1,3,6-9H2,2,4H3,(H,15,17)/t11-,12?/m0/s1.
What are the key properties of (3S)-2-(fluoroamino)-3-methyl-N-(2-methylidenehex-5-enyl)pentanamide?
(3S)-2-(fluoroamino)-3-methyl-N-(2-methylidenehex-5-enyl)pentanamide has a molecular weight of 242.34 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(fluoroamino)-3-methyl-N-(2-methylidenehex-5-enyl)pentanamide is sourced from PubChem (CID 142561248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).