4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine

C13H24F3N — CID 115491425

IUPAC4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine
SMILESCC1(C)CCC(NCCCCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N/c1-12(2)8-5-11(6-9-12)17-10-4-3-7-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyTZYHRWVIOWWIHU-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.28
Rot. Bonds5

About 4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine

4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine (PubChem CID 115491425) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is 4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine
PubChem CID115491425
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine
SMILESCC1(C)CCC(NCCCCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N/c1-12(2)8-5-11(6-9-12)17-10-4-3-7-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyTZYHRWVIOWWIHU-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoropropyl)-4,4-dimethylcyclohexan-1-amine
CID 81105240
N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
CID 115520291
4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine
CID 115517023
N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine
CID 82959515
4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol
CID 115519605
N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65082955
6-[(4,4-dimethylcycloheptyl)amino]hexan-1-ol
CID 114008759
4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039992
N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine
CID 115519107
4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 177148467
4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine
CID 115516563
6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol
CID 104537039

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine (CID 115491425) is 4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine is CC1(C)CCC(NCCCCC(F)(F)F)CC1.
What is the InChIKey of 4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine?
The InChIKey is TZYHRWVIOWWIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-12(2)8-5-11(6-9-12)17-10-4-3-7-13(14,15)16/h11,17H,3-10H2,1-2H3.
What are the key properties of 4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine?
4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine is sourced from PubChem (CID 115491425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).