N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine

C14H24F3NO — CID 82958153

IUPACN-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine
SMILESCC1CCCC(CNC2CC2)(OCCC(F)(F)F)C1
InChIInChI=1S/C14H24F3NO/c1-11-3-2-6-13(9-11,10-18-12-4-5-12)19-8-7-14(15,16)17/h11-12,18H,2-10H2,1H3
InChIKeyCKTPDUBQJWWIBX-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.66
Rot. Bonds6

About N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine

N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine (PubChem CID 82958153) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine
PubChem CID82958153
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine
SMILESCC1CCCC(CNC2CC2)(OCCC(F)(F)F)C1
InChIInChI=1S/C14H24F3NO/c1-11-3-2-6-13(9-11,10-18-12-4-5-12)19-8-7-14(15,16)17/h11-12,18H,2-10H2,1H3
InChIKeyCKTPDUBQJWWIBX-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine 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-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
CID 82956772
N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine
CID 62109925
N-[(1-propoxycyclopentyl)methyl]cyclopropanamine
CID 62107293
N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 106205092
N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine
CID 115942700
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 55036396
N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine
CID 106204875
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 112589392
N-[(1-butoxycycloheptyl)methyl]cyclopropanamine
CID 62107297
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 62110767
N-[[1-[2-(2-methoxyethoxy)ethoxy]-3-methylcyclohexyl]methyl]ethanamine
CID 104565665
3-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
CID 65121175

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine (CID 82958153) is N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine is CC1CCCC(CNC2CC2)(OCCC(F)(F)F)C1.
What is the InChIKey of N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is CKTPDUBQJWWIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-11-3-2-6-13(9-11,10-18-12-4-5-12)19-8-7-14(15,16)17/h11-12,18H,2-10H2,1H3.
What are the key properties of N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine?
N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 279.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 82958153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).