4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine

C15H28F3N — CID 115517023

IUPAC4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine
SMILESCC(C)C1CCCC(NCCCCC(F)(F)F)CC1
InChIInChI=1S/C15H28F3N/c1-12(2)13-6-5-7-14(9-8-13)19-11-4-3-10-15(16,17)18/h12-14,19H,3-11H2,1-2H3
InChIKeyCAYFTILORMQKSK-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.91
Rot. Bonds6

About 4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine

4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine (PubChem CID 115517023) has the molecular formula C15H28F3N and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine
PubChem CID115517023
Molecular FormulaC15H28F3N
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC Name4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine
SMILESCC(C)C1CCCC(NCCCCC(F)(F)F)CC1
InChIInChI=1S/C15H28F3N/c1-12(2)13-6-5-7-14(9-8-13)19-11-4-3-10-15(16,17)18/h12-14,19H,3-11H2,1-2H3
InChIKeyCAYFTILORMQKSK-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 65091618
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
N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461
4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine
CID 115491425
2-[(4-propan-2-ylcycloheptyl)amino]ethanol
CID 65086684
N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
CID 115520291
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018
2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
CID 113340266
N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 62707679
N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 114125031
4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039992

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine?
The IUPAC name of 4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine (CID 115517023) is 4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine.
What is the SMILES notation for 4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine?
The canonical SMILES for 4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine is CC(C)C1CCCC(NCCCCC(F)(F)F)CC1.
What is the InChIKey of 4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine?
The InChIKey is CAYFTILORMQKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N/c1-12(2)13-6-5-7-14(9-8-13)19-11-4-3-10-15(16,17)18/h12-14,19H,3-11H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine?
4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine is sourced from PubChem (CID 115517023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).