ethane;1-(methylamino)-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide

C13H25F3N2O — CID 143709598

IUPACethane;1-(methylamino)-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
SMILESCC.CNC1(C(=O)NCCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H19F3N2O.C2H6/c1-15-10(5-3-2-4-6-10)9(17)16-8-7-11(12,13)14;1-2/h15H,2-8H2,1H3,(H,16,17);1-2H3
InChIKeyXNUNHEAGUSBSKY-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.00
Rot. Bonds4

About ethane;1-(methylamino)-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide

ethane;1-(methylamino)-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide (PubChem CID 143709598) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is ethane;1-(methylamino)-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nameethane;1-(methylamino)-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
PubChem CID143709598
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Nameethane;1-(methylamino)-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
SMILESCC.CNC1(C(=O)NCCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H19F3N2O.C2H6/c1-15-10(5-3-2-4-6-10)9(17)16-8-7-11(12,13)14;1-2/h15H,2-8H2,1H3,(H,16,17);1-2H3
InChIKeyXNUNHEAGUSBSKY-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 24696467
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CID 24690155
1-amino-N-propylcyclohexane-1-carboxamide
CID 24701829
1-amino-N-methylcyclohexane-1-carboxamide hydrochloride
CID 45791484
N-(cyclohexylmethyl)-2-methyl-7-oxoazepane-2-carboxamide
CID 110196347
1-amino-N-ethylcyclohexane-1-carboxamide hydrochloride
CID 42948598
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CID 768017

Frequently Asked Questions

What is the IUPAC name of ethane;1-(methylamino)-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The IUPAC name of ethane;1-(methylamino)-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide (CID 143709598) is ethane;1-(methylamino)-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for ethane;1-(methylamino)-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The canonical SMILES for ethane;1-(methylamino)-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide is CC.CNC1(C(=O)NCCC(F)(F)F)CCCCC1.
What is the InChIKey of ethane;1-(methylamino)-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The InChIKey is XNUNHEAGUSBSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O.C2H6/c1-15-10(5-3-2-4-6-10)9(17)16-8-7-11(12,13)14;1-2/h15H,2-8H2,1H3,(H,16,17);1-2H3.
What are the key properties of ethane;1-(methylamino)-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
ethane;1-(methylamino)-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(methylamino)-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 143709598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).