4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine

C15H28F3N — CID 115516563

IUPAC4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(NCCCC(F)(F)F)CC1
InChIInChI=1S/C15H28F3N/c1-14(2,3)12-6-4-7-13(9-8-12)19-11-5-10-15(16,17)18/h12-13,19H,4-11H2,1-3H3
InChIKeyVPGGBQORPLBWLU-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.91
Rot. Bonds4

About 4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine

4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine (PubChem CID 115516563) has the molecular formula C15H28F3N and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine
PubChem CID115516563
Molecular FormulaC15H28F3N
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC Name4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(NCCCC(F)(F)F)CC1
InChIInChI=1S/C15H28F3N/c1-14(2,3)12-6-4-7-13(9-8-12)19-11-5-10-15(16,17)18/h12-13,19H,4-11H2,1-3H3
InChIKeyVPGGBQORPLBWLU-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.91
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

4-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptan-1-amine
CID 106427233
4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine
CID 115517023
3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039078
N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040900
4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039992
4-tert-butyl-N-pent-3-ynylcycloheptan-1-amine
CID 116643207
4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine
CID 103826274
4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 2846375
5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol
CID 107302888
4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 177148467
5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol
CID 106144752
N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 115516260

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine (CID 115516563) is 4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine is CC(C)(C)C1CCCC(NCCCC(F)(F)F)CC1.
What is the InChIKey of 4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine?
The InChIKey is VPGGBQORPLBWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N/c1-14(2,3)12-6-4-7-13(9-8-12)19-11-5-10-15(16,17)18/h12-13,19H,4-11H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine?
4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine is sourced from PubChem (CID 115516563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).