N-(3-methoxypropyl)-4-(trifluoromethyl)cyclohexan-1-amine

C11H20F3NO — CID 64756275

IUPACN-(3-methoxypropyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-16-8-2-7-15-10-5-3-9(4-6-10)11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyFSIYNQUJHAZZLJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds5

About N-(3-methoxypropyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(3-methoxypropyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64756275) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64756275
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-(3-methoxypropyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-16-8-2-7-15-10-5-3-9(4-6-10)11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyFSIYNQUJHAZZLJ-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64756275) is N-(3-methoxypropyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-4-(trifluoromethyl)cyclohexan-1-amine is COCCCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(3-methoxypropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is FSIYNQUJHAZZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-16-8-2-7-15-10-5-3-9(4-6-10)11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of N-(3-methoxypropyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(3-methoxypropyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64756275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).