1-cyclohexyl-1-(1H-imidazol-2-yl)-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]methanamine

C17H25F3N4 — CID 167965359

IUPAC1-cyclohexyl-1-(1H-imidazol-2-yl)-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]methanamine
SMILESFC(F)(F)[C@@]12CNC[C@]1(CNC(c1ncc[nH]1)C1CCCCC1)C2
InChIInChI=1S/C17H25F3N4/c18-17(19,20)16-8-15(16,9-21-11-16)10-24-13(14-22-6-7-23-14)12-4-2-1-3-5-12/h6-7,12-13,21,24H,1-5,8-11H2,(H,22,23)/t13?,15-,16-/m0/s1
InChIKeyPNOCVTPUVCBOGR-FMYDAXTQSA-N
MW342.41 g/mol
LogP3.16
Rot. Bonds5

About 1-cyclohexyl-1-(1H-imidazol-2-yl)-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]methanamine

1-cyclohexyl-1-(1H-imidazol-2-yl)-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]methanamine (PubChem CID 167965359) has the molecular formula C17H25F3N4 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-cyclohexyl-1-(1H-imidazol-2-yl)-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexyl-1-(1H-imidazol-2-yl)-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]methanamine
PubChem CID167965359
Molecular FormulaC17H25F3N4
Molecular Weight342.41 g/mol
Exact Mass342.20
IUPAC Name1-cyclohexyl-1-(1H-imidazol-2-yl)-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]methanamine
SMILESFC(F)(F)[C@@]12CNC[C@]1(CNC(c1ncc[nH]1)C1CCCCC1)C2
InChIInChI=1S/C17H25F3N4/c18-17(19,20)16-8-15(16,9-21-11-16)10-24-13(14-22-6-7-23-14)12-4-2-1-3-5-12/h6-7,12-13,21,24H,1-5,8-11H2,(H,22,23)/t13?,15-,16-/m0/s1
InChIKeyPNOCVTPUVCBOGR-FMYDAXTQSA-N
XLogP3.16
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-1-(1H-imidazol-2-yl)-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(1H-imidazol-2-yl)-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]methanamine?
The IUPAC name of 1-cyclohexyl-1-(1H-imidazol-2-yl)-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]methanamine (CID 167965359) is 1-cyclohexyl-1-(1H-imidazol-2-yl)-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclohexyl-1-(1H-imidazol-2-yl)-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]methanamine?
The canonical SMILES for 1-cyclohexyl-1-(1H-imidazol-2-yl)-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]methanamine is FC(F)(F)[C@@]12CNC[C@]1(CNC(c1ncc[nH]1)C1CCCCC1)C2.
What is the InChIKey of 1-cyclohexyl-1-(1H-imidazol-2-yl)-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]methanamine?
The InChIKey is PNOCVTPUVCBOGR-FMYDAXTQSA-N. The full InChI is InChI=1S/C17H25F3N4/c18-17(19,20)16-8-15(16,9-21-11-16)10-24-13(14-22-6-7-23-14)12-4-2-1-3-5-12/h6-7,12-13,21,24H,1-5,8-11H2,(H,22,23)/t13?,15-,16-/m0/s1.
What are the key properties of 1-cyclohexyl-1-(1H-imidazol-2-yl)-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]methanamine?
1-cyclohexyl-1-(1H-imidazol-2-yl)-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]methanamine has a molecular weight of 342.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(1H-imidazol-2-yl)-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]methanamine is sourced from PubChem (CID 167965359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).