2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide

C12H25F2N3O — CID 107494530

IUPAC2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N(CCN)CC(F)F
InChIInChI=1S/C12H25F2N3O/c1-4-10(5-2)16-12(18)9(3)17(7-6-15)8-11(13)14/h9-11H,4-8,15H2,1-3H3,(H,16,18)
InChIKeyOEHNCZYDJJJTSA-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.21
Rot. Bonds9

About 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide

2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide (PubChem CID 107494530) has the molecular formula C12H25F2N3O and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide
PubChem CID107494530
Molecular FormulaC12H25F2N3O
Molecular Weight265.35 g/mol
Exact Mass265.20
IUPAC Name2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N(CCN)CC(F)F
InChIInChI=1S/C12H25F2N3O/c1-4-10(5-2)16-12(18)9(3)17(7-6-15)8-11(13)14/h9-11H,4-8,15H2,1-3H3,(H,16,18)
InChIKeyOEHNCZYDJJJTSA-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-butylpropanamide
CID 107494579
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-carbamoylpropanamide
CID 107494446
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide
CID 107494561
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide
CID 107485178
2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide
CID 62020833
2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide
CID 62014639
2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
CID 107426058
2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide
CID 61486750
2-[2-aminoethyl(propyl)amino]-N-propylpropanamide
CID 61349368
2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide
CID 63761733
(2S)-2-amino-N-pentan-3-ylpropanamide
CID 14333664
2-[cyclopropylmethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
CID 43656844

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide (CID 107494530) is 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)N(CCN)CC(F)F.
What is the InChIKey of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide?
The InChIKey is OEHNCZYDJJJTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F2N3O/c1-4-10(5-2)16-12(18)9(3)17(7-6-15)8-11(13)14/h9-11H,4-8,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide?
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide has a molecular weight of 265.35 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 107494530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).