3-[tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

C14H26F3NO — CID 165490700

IUPAC3-[tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCN(C1CC(O)CCC1C(F)(F)F)C(C)(C)C
InChIInChI=1S/C14H26F3NO/c1-5-8-18(13(2,3)4)12-9-10(19)6-7-11(12)14(15,16)17/h10-12,19H,5-9H2,1-4H3
InChIKeyLOPRNDSTWDAGEP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.59
Rot. Bonds3

About 3-[tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

3-[tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490700) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490700
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name3-[tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCN(C1CC(O)CCC1C(F)(F)F)C(C)(C)C
InChIInChI=1S/C14H26F3NO/c1-5-8-18(13(2,3)4)12-9-10(19)6-7-11(12)14(15,16)17/h10-12,19H,5-9H2,1-4H3
InChIKeyLOPRNDSTWDAGEP-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-[tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490700) is 3-[tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-[tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-[tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is CCCN(C1CC(O)CCC1C(F)(F)F)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is LOPRNDSTWDAGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-5-8-18(13(2,3)4)12-9-10(19)6-7-11(12)14(15,16)17/h10-12,19H,5-9H2,1-4H3.
What are the key properties of 3-[tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
3-[tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).