4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine

C13H24F3N — CID 65091618

IUPAC4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
SMILESCC(C)C1CCCC(NCCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N/c1-10(2)11-4-3-5-12(7-6-11)17-9-8-13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyFEZZXTZEFHSVAY-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.13
Rot. Bonds4

About 4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine

4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine (PubChem CID 65091618) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
PubChem CID65091618
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
SMILESCC(C)C1CCCC(NCCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N/c1-10(2)11-4-3-5-12(7-6-11)17-9-8-13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyFEZZXTZEFHSVAY-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine
CID 115517023
2-[(4-propan-2-ylcycloheptyl)amino]ethanol
CID 65086684
4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 177148467
1-methyl-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 60696502
N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091022
4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine
CID 115516563
N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide
CID 115756514
2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
CID 113340266
N-(3-fluoro-3-methylbutyl)cyclohexanamine
CID 84661119
N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine
CID 81384504
N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091288
N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 62707679

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine?
The IUPAC name of 4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine (CID 65091618) is 4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine.
What is the SMILES notation for 4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine?
The canonical SMILES for 4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine is CC(C)C1CCCC(NCCC(F)(F)F)CC1.
What is the InChIKey of 4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine?
The InChIKey is FEZZXTZEFHSVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-10(2)11-4-3-5-12(7-6-11)17-9-8-13(14,15)16/h10-12,17H,3-9H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine?
4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 4.13, 4 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-(3,3,3-trifluoropropyl)cycloheptan-1-amine is sourced from PubChem (CID 65091618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).