N-[3-(aminomethyl)pentan-3-yl]-3-(2,2-difluoroethoxy)propanamide

C11H22F2N2O2 — CID 103209456

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(2,2-difluoroethoxy)propanamide
SMILESCCC(CC)(CN)NC(=O)CCOCC(F)F
InChIInChI=1S/C11H22F2N2O2/c1-3-11(4-2,8-14)15-10(16)5-6-17-7-9(12)13/h9H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyMMYIJPQENCZZAG-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.29
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-3-(2,2-difluoroethoxy)propanamide

N-[3-(aminomethyl)pentan-3-yl]-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103209456) has the molecular formula C11H22F2N2O2 and a molecular weight of 252.30 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(2,2-difluoroethoxy)propanamide
PubChem CID103209456
Molecular FormulaC11H22F2N2O2
Molecular Weight252.30 g/mol
Exact Mass252.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(2,2-difluoroethoxy)propanamide
SMILESCCC(CC)(CN)NC(=O)CCOCC(F)F
InChIInChI=1S/C11H22F2N2O2/c1-3-11(4-2,8-14)15-10(16)5-6-17-7-9(12)13/h9H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyMMYIJPQENCZZAG-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-(aminomethyl)pentan-3-yl]-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(2,2-difluoroethoxy)propanamide (CID 103209456) is N-[3-(aminomethyl)pentan-3-yl]-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(2,2-difluoroethoxy)propanamide is CCC(CC)(CN)NC(=O)CCOCC(F)F.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is MMYIJPQENCZZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O2/c1-3-11(4-2,8-14)15-10(16)5-6-17-7-9(12)13/h9H,3-8,14H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(2,2-difluoroethoxy)propanamide?
N-[3-(aminomethyl)pentan-3-yl]-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 252.30 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103209456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).