1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide

C14H24F3N3O — CID 60856636

IUPAC1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCC2CCN(CC(F)(F)F)C2)CCCCC1
InChIInChI=1S/C14H24F3N3O/c15-14(16,17)10-20-7-4-11(9-20)8-19-12(21)13(18)5-2-1-3-6-13/h11H,1-10,18H2,(H,19,21)
InChIKeyLFVPMFNUPDLOMV-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.65
Rot. Bonds4

About 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide

1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 60856636) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
PubChem CID60856636
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCC2CCN(CC(F)(F)F)C2)CCCCC1
InChIInChI=1S/C14H24F3N3O/c15-14(16,17)10-20-7-4-11(9-20)8-19-12(21)13(18)5-2-1-3-6-13/h11H,1-10,18H2,(H,19,21)
InChIKeyLFVPMFNUPDLOMV-UHFFFAOYSA-N
XLogP1.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide (CID 60856636) is 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide is NC1(C(=O)NCC2CCN(CC(F)(F)F)C2)CCCCC1.
What is the InChIKey of 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is LFVPMFNUPDLOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c15-14(16,17)10-20-7-4-11(9-20)8-19-12(21)13(18)5-2-1-3-6-13/h11H,1-10,18H2,(H,19,21).
What are the key properties of 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide?
1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 60856636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).