N-[3-(2-methylpropoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine

C14H26F3NO — CID 64753621

IUPACN-[3-(2-methylpropoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)COCCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-11(2)10-19-9-3-8-18-13-6-4-12(5-7-13)14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyAZCATJDACJDDIB-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.76
Rot. Bonds7

About N-[3-(2-methylpropoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[3-(2-methylpropoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753621) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753621
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-[3-(2-methylpropoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)COCCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-11(2)10-19-9-3-8-18-13-6-4-12(5-7-13)14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyAZCATJDACJDDIB-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine hydrochloride
CID 137838564
N-(2-butoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101588
N-(2-ethoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101589
N-(4-methylcyclohexyl)-3-(trifluoromethyl)oxetan-3-amine
CID 169614710
N-(4-methoxy-4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730350
N-[4-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 43730370
N-(oxolan-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730458
N-(4-methoxy-4-methylpentan-2-yl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730622
N-[2-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 43730643
N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730738
N-(4-methoxy-4-methylpentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747368
N-[3-(trifluoromethyl)cyclohexyl]oxan-4-amine
CID 43747388

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753621) is N-[3-(2-methylpropoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine is CC(C)COCCCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is AZCATJDACJDDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-11(2)10-19-9-3-8-18-13-6-4-12(5-7-13)14(15,16)17/h11-13,18H,3-10H2,1-2H3.
What are the key properties of N-[3-(2-methylpropoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[3-(2-methylpropoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).