5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine

C14H26F3N — CID 113326984

IUPAC5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCCCC(F)(F)F)C1
InChIInChI=1S/C14H26F3N/c1-10(2)12-6-5-11(3)9-13(12)18-8-4-7-14(15,16)17/h10-13,18H,4-9H2,1-3H3
InChIKeyMXKWIFGVOIBKFO-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.38
Rot. Bonds5

About 5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine

5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine (PubChem CID 113326984) has the molecular formula C14H26F3N and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
PubChem CID113326984
Molecular FormulaC14H26F3N
Molecular Weight265.36 g/mol
Exact Mass265.20
IUPAC Name5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCCCC(F)(F)F)C1
InChIInChI=1S/C14H26F3N/c1-10(2)12-6-5-11(3)9-13(12)18-8-4-7-14(15,16)17/h10-13,18H,4-9H2,1-3H3
InChIKeyMXKWIFGVOIBKFO-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.38
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-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43223218
6-[(5-methyl-2-propan-2-ylcyclohexyl)amino]hexan-1-ol
CID 103922216
4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanenitrile
CID 115976292
5-methyl-N-(3-methylsulfinylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 113261734
N-hex-5-ynyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 114158519
cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine
CID 130962040
(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103906936
5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine
CID 43710072
N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 61071274
5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 106324727
5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine
CID 60664609
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 43081495

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine (CID 113326984) is 5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine is CC1CCC(C(C)C)C(NCCCC(F)(F)F)C1.
What is the InChIKey of 5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The InChIKey is MXKWIFGVOIBKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N/c1-10(2)12-6-5-11(3)9-13(12)18-8-4-7-14(15,16)17/h10-13,18H,4-9H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine is sourced from PubChem (CID 113326984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).