N-ethyl-4-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine

C14H26F3NO — CID 66276743

IUPACN-ethyl-4-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1OC(C)C(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-5-18-12-7-6-11(9(2)3)8-13(12)19-10(4)14(15,16)17/h9-13,18H,5-8H2,1-4H3
InChIKeyCKAJIMWQRVEZGL-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.76
Rot. Bonds5

About N-ethyl-4-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine

N-ethyl-4-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine (PubChem CID 66276743) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-ethyl-4-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine
PubChem CID66276743
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-ethyl-4-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1OC(C)C(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-5-18-12-7-6-11(9(2)3)8-13(12)19-10(4)14(15,16)17/h9-13,18H,5-8H2,1-4H3
InChIKeyCKAJIMWQRVEZGL-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine (CID 66276743) is N-ethyl-4-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine is CCNC1CCC(C(C)C)CC1OC(C)C(F)(F)F.
What is the InChIKey of N-ethyl-4-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine?
The InChIKey is CKAJIMWQRVEZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-5-18-12-7-6-11(9(2)3)8-13(12)19-10(4)14(15,16)17/h9-13,18H,5-8H2,1-4H3.
What are the key properties of N-ethyl-4-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine?
N-ethyl-4-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine is sourced from PubChem (CID 66276743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).