N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine

C15H26F3NO — CID 105147551

IUPACN-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(C1CCOC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H26F3NO/c1-2-7-19-14(12-6-8-20-10-12)11-4-3-5-13(9-11)15(16,17)18/h11-14,19H,2-10H2,1H3
InChIKeyVXWMNXSAOSWAEP-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.76
Rot. Bonds5

About N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine

N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 105147551) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID105147551
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNC(C1CCOC1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H26F3NO/c1-2-7-19-14(12-6-8-20-10-12)11-4-3-5-13(9-11)15(16,17)18/h11-14,19H,2-10H2,1H3
InChIKeyVXWMNXSAOSWAEP-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105151620
N-[(4-ethylcyclohexyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65329706
N-[oxan-3-yl-(4-propylcyclohexyl)methyl]propan-1-amine
CID 107136453
N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 107138706
3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105137916
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine
CID 105077363
N-[(2,2-dimethylcyclopentyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107191939
N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105179256
3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105163942
oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105147261
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
CID 105179553
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153083

Frequently Asked Questions

What is the IUPAC name of N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine (CID 105147551) is N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is CCCNC(C1CCOC1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is VXWMNXSAOSWAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-2-7-19-14(12-6-8-20-10-12)11-4-3-5-13(9-11)15(16,17)18/h11-14,19H,2-10H2,1H3.
What are the key properties of N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine?
N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 293.37 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-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 105147551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).