N-[[4-propyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine

C16H28F3NO — CID 66276163

IUPACN-[[4-propyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine
SMILESCCCC1CCC(CNC2CC2)(OC(C)C(F)(F)F)CC1
InChIInChI=1S/C16H28F3NO/c1-3-4-13-7-9-15(10-8-13,11-20-14-5-6-14)21-12(2)16(17,18)19/h12-14,20H,3-11H2,1-2H3
InChIKeyHVZDRMJTJRFRHG-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.43
Rot. Bonds7

About N-[[4-propyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine

N-[[4-propyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine (PubChem CID 66276163) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[[4-propyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-propyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine
PubChem CID66276163
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC NameN-[[4-propyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine
SMILESCCCC1CCC(CNC2CC2)(OC(C)C(F)(F)F)CC1
InChIInChI=1S/C16H28F3NO/c1-3-4-13-7-9-15(10-8-13,11-20-14-5-6-14)21-12(2)16(17,18)19/h12-14,20H,3-11H2,1-2H3
InChIKeyHVZDRMJTJRFRHG-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-propyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-propyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine (CID 66276163) is N-[[4-propyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-propyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-propyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine is CCCC1CCC(CNC2CC2)(OC(C)C(F)(F)F)CC1.
What is the InChIKey of N-[[4-propyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is HVZDRMJTJRFRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO/c1-3-4-13-7-9-15(10-8-13,11-20-14-5-6-14)21-12(2)16(17,18)19/h12-14,20H,3-11H2,1-2H3.
What are the key properties of N-[[4-propyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine?
N-[[4-propyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 307.40 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-propyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 66276163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).