tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate

C15H25F3N2O2 — CID 107238283

IUPACtert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O2/c1-14(2,3)22-13(21)20-12-8-11(12)19-10-6-4-9(5-7-10)15(16,17)18/h9-12,19H,4-8H2,1-3H3,(H,20,21)
InChIKeyBMEQQHTWYWJOGX-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.36
Rot. Bonds3

About tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate

tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate (PubChem CID 107238283) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate
PubChem CID107238283
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O2/c1-14(2,3)22-13(21)20-12-8-11(12)19-10-6-4-9(5-7-10)15(16,17)18/h9-12,19H,4-8H2,1-3H3,(H,20,21)
InChIKeyBMEQQHTWYWJOGX-UHFFFAOYSA-N
XLogP3.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate
CID 107237703
tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate
CID 107238333
tert-butyl N-[2-[(3-methylcyclohexyl)amino]cyclopropyl]carbamate
CID 107238142
tert-butyl N-[2-[(3-ethylcyclohexyl)amino]cyclopropyl]carbamate
CID 107237906
tert-butyl N-[2-[(5-methylthiolan-3-yl)amino]cyclopropyl]carbamate
CID 107237589
tert-butyl N-[(1R,3S,5S)-3-hydroxy-5-(trifluoromethyl)cyclohexyl]carbamate
CID 129413231
tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate
CID 126970282
tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]cyclopropyl]carbamate
CID 107428855
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
tert-butyl N-[(3S,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate
CID 99646092
tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 104624550
tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate
CID 107237944

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate (CID 107238283) is tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate?
The InChIKey is BMEQQHTWYWJOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c1-14(2,3)22-13(21)20-12-8-11(12)19-10-6-4-9(5-7-10)15(16,17)18/h9-12,19H,4-8H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate?
tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate has a molecular weight of 322.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate is sourced from PubChem (CID 107238283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).