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

C15H28F3NO — CID 66275438

IUPAC4-propan-2-yl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1OC(C)C(F)(F)F
InChIInChI=1S/C15H28F3NO/c1-5-8-19-13-7-6-12(10(2)3)9-14(13)20-11(4)15(16,17)18/h10-14,19H,5-9H2,1-4H3
InChIKeyPADAOLZMEWVURH-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.15
Rot. Bonds6

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

4-propan-2-yl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine (PubChem CID 66275438) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-propan-2-yl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine
PubChem CID66275438
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name4-propan-2-yl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1OC(C)C(F)(F)F
InChIInChI=1S/C15H28F3NO/c1-5-8-19-13-7-6-12(10(2)3)9-14(13)20-11(4)15(16,17)18/h10-14,19H,5-9H2,1-4H3
InChIKeyPADAOLZMEWVURH-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine?
The IUPAC name of 4-propan-2-yl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine (CID 66275438) is 4-propan-2-yl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine is CCCNC1CCC(C(C)C)CC1OC(C)C(F)(F)F.
What is the InChIKey of 4-propan-2-yl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine?
The InChIKey is PADAOLZMEWVURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-5-8-19-13-7-6-12(10(2)3)9-14(13)20-11(4)15(16,17)18/h10-14,19H,5-9H2,1-4H3.
What are the key properties of 4-propan-2-yl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine?
4-propan-2-yl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-amine is sourced from PubChem (CID 66275438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).