N-(3-amino-4,4-difluoro-3-methylbutyl)-1-methylcyclopropane-1-carboxamide

C10H18F2N2O — CID 165448653

IUPACN-(3-amino-4,4-difluoro-3-methylbutyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCCC(C)(N)C(F)F)CC1
InChIInChI=1S/C10H18F2N2O/c1-9(3-4-9)8(15)14-6-5-10(2,13)7(11)12/h7H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyURBPBDMYAHYZNU-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.28
Rot. Bonds5

About N-(3-amino-4,4-difluoro-3-methylbutyl)-1-methylcyclopropane-1-carboxamide

N-(3-amino-4,4-difluoro-3-methylbutyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 165448653) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is N-(3-amino-4,4-difluoro-3-methylbutyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4,4-difluoro-3-methylbutyl)-1-methylcyclopropane-1-carboxamide
PubChem CID165448653
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC NameN-(3-amino-4,4-difluoro-3-methylbutyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCCC(C)(N)C(F)F)CC1
InChIInChI=1S/C10H18F2N2O/c1-9(3-4-9)8(15)14-6-5-10(2,13)7(11)12/h7H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyURBPBDMYAHYZNU-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4,4-difluoro-3-methylbutyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-amino-4,4-difluoro-3-methylbutyl)-1-methylcyclopropane-1-carboxamide (CID 165448653) is N-(3-amino-4,4-difluoro-3-methylbutyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-amino-4,4-difluoro-3-methylbutyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-amino-4,4-difluoro-3-methylbutyl)-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCCC(C)(N)C(F)F)CC1.
What is the InChIKey of N-(3-amino-4,4-difluoro-3-methylbutyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is URBPBDMYAHYZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-9(3-4-9)8(15)14-6-5-10(2,13)7(11)12/h7H,3-6,13H2,1-2H3,(H,14,15).
What are the key properties of N-(3-amino-4,4-difluoro-3-methylbutyl)-1-methylcyclopropane-1-carboxamide?
N-(3-amino-4,4-difluoro-3-methylbutyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 220.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4,4-difluoro-3-methylbutyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 165448653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).