N-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide

C16H28F2N2O — CID 77292727

IUPACN-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESCC1(N)CCC(CNC(=O)C2CCC(F)(F)CC2)C1(C)C
InChIInChI=1S/C16H28F2N2O/c1-14(2)12(6-7-15(14,3)19)10-20-13(21)11-4-8-16(17,18)9-5-11/h11-12H,4-10,19H2,1-3H3,(H,20,21)
InChIKeyBUBFIEYSMFWOSY-UHFFFAOYSA-N
MW302.41 g/mol
LogP3.08
Rot. Bonds3

About N-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide

N-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 77292727) has the molecular formula C16H28F2N2O and a molecular weight of 302.41 g/mol. Its IUPAC name is N-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide
PubChem CID77292727
Molecular FormulaC16H28F2N2O
Molecular Weight302.41 g/mol
Exact Mass302.22
IUPAC NameN-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESCC1(N)CCC(CNC(=O)C2CCC(F)(F)CC2)C1(C)C
InChIInChI=1S/C16H28F2N2O/c1-14(2)12(6-7-15(14,3)19)10-20-13(21)11-4-8-16(17,18)9-5-11/h11-12H,4-10,19H2,1-3H3,(H,20,21)
InChIKeyBUBFIEYSMFWOSY-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide with MolForge

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Related Compounds

(1S)-3,3-difluoro-N-[[(2R)-spiro[2.2]pentan-2-yl]methyl]cyclopentane-1-carboxamide
CID 129348874
1-(4,4-difluorocyclohexyl)-3-[(1R)-2,2,3,3-tetramethylcyclopentyl]propan-1-one
CID 58477014
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide
CID 103860797
4,4-difluoro-N-pent-3-ynylcyclohexane-1-carboxamide
CID 104581214
4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
CID 124568326
N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 103970120
4,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 114760533
1-(4,4-difluorocyclohexyl)-3-methylbutan-1-one
CID 105077543
N-[(1-methylcyclopropyl)methyl]cyclopropanecarboxamide
CID 103722140
4,4-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 115774921
1-(4,4-difluorocyclohexyl)-3-methylpentan-1-one
CID 105091676
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 86789781

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide (CID 77292727) is N-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide is CC1(N)CCC(CNC(=O)C2CCC(F)(F)CC2)C1(C)C.
What is the InChIKey of N-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is BUBFIEYSMFWOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2O/c1-14(2)12(6-7-15(14,3)19)10-20-13(21)11-4-8-16(17,18)9-5-11/h11-12H,4-10,19H2,1-3H3,(H,20,21).
What are the key properties of N-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide?
N-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 302.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 77292727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).