N-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide

C14H24F2N2O — CID 102873906

IUPACN-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide
SMILESNCCCN(C(=O)C1CCC(F)(F)CC1)C1CCC1
InChIInChI=1S/C14H24F2N2O/c15-14(16)7-5-11(6-8-14)13(19)18(10-2-9-17)12-3-1-4-12/h11-12H,1-10,17H2
InChIKeyIIYRYESMEHIAGJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.54
Rot. Bonds5

About N-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide

N-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 102873906) has the molecular formula C14H24F2N2O and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide
PubChem CID102873906
Molecular FormulaC14H24F2N2O
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC NameN-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide
SMILESNCCCN(C(=O)C1CCC(F)(F)CC1)C1CCC1
InChIInChI=1S/C14H24F2N2O/c15-14(16)7-5-11(6-8-14)13(19)18(10-2-9-17)12-3-1-4-12/h11-12H,1-10,17H2
InChIKeyIIYRYESMEHIAGJ-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide
CID 62586831
N-(3-aminopropyl)-N-cyclobutyloxane-4-carboxamide
CID 102873819
N-cyclobutyl-3,3-difluoro-N-(3-hydroxypropyl)cyclopentane-1-carboxamide
CID 114094525
N-(3-aminopropyl)-N-cyclopentyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476059
N-(2-aminoethyl)-N-cyclopentylcyclohexanecarboxamide
CID 63754803
N-(3-aminopropyl)-N-cyclohexyloxane-3-carboxamide
CID 55149190
N-(2-aminoethyl)-N-cyclopropylcyclopropanecarboxamide
CID 61350147
1-(3-aminopropyl)-1-cycloheptyl-3,3-dimethylurea
CID 79153945
N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 102873908
N-cyclobutyl-N-(3-hydroxypropyl)cyclooctanecarboxamide
CID 102866891
N-(3-aminopropyl)-N-cyclobutyl-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 102873935
N-(2-aminoethyl)-4,4-difluoro-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 107493690

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide (CID 102873906) is N-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide is NCCCN(C(=O)C1CCC(F)(F)CC1)C1CCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is IIYRYESMEHIAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O/c15-14(16)7-5-11(6-8-14)13(19)18(10-2-9-17)12-3-1-4-12/h11-12H,1-10,17H2.
What are the key properties of N-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide?
N-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclobutyl-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 102873906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).