N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide

C15H26F2N2O — CID 103970120

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESNCC1(CNC(=O)C2CCC(F)(F)CC2)CCCCC1
InChIInChI=1S/C15H26F2N2O/c16-15(17)8-4-12(5-9-15)13(20)19-11-14(10-18)6-2-1-3-7-14/h12H,1-11,18H2,(H,19,20)
InChIKeyWTBGSVJIZZMMRW-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.84
Rot. Bonds4

About N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide

N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 103970120) has the molecular formula C15H26F2N2O and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide
PubChem CID103970120
Molecular FormulaC15H26F2N2O
Molecular Weight288.38 g/mol
Exact Mass288.20
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESNCC1(CNC(=O)C2CCC(F)(F)CC2)CCCCC1
InChIInChI=1S/C15H26F2N2O/c16-15(17)8-4-12(5-9-15)13(20)19-11-14(10-18)6-2-1-3-7-14/h12H,1-11,18H2,(H,19,20)
InChIKeyWTBGSVJIZZMMRW-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)cyclohexanecarboxamide
CID 4051138
N-[4-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
CID 40138363
N-[3-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
CID 42936327
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 53509297
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 53511040
N,N'-octane-1,8-diylbis(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide)
CID 5080604
2-(1-adamantyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 58051850
1-ethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 71111905
4,4-difluoro-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 81932123
N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
CID 89487170
4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 89760500
4,4-difluoro-N-(3,3,4-trimethylhexyl)cyclohexane-1-carboxamide
CID 90872289

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide (CID 103970120) is N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide is NCC1(CNC(=O)C2CCC(F)(F)CC2)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is WTBGSVJIZZMMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O/c16-15(17)8-4-12(5-9-15)13(20)19-11-14(10-18)6-2-1-3-7-14/h12H,1-11,18H2,(H,19,20).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 103970120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).