4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine

C17H32F3N — CID 105140028

IUPAC4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
SMILESCCCNC(CCC(C)(C)C)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H32F3N/c1-5-11-21-15(9-10-16(2,3)4)13-7-6-8-14(12-13)17(18,19)20/h13-15,21H,5-12H2,1-4H3
InChIKeyZMZPRLAACXXCHB-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.55
Rot. Bonds6

About 4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine

4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine (PubChem CID 105140028) has the molecular formula C17H32F3N and a molecular weight of 307.44 g/mol. Its IUPAC name is 4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
PubChem CID105140028
Molecular FormulaC17H32F3N
Molecular Weight307.44 g/mol
Exact Mass307.25
IUPAC Name4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
SMILESCCCNC(CCC(C)(C)C)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H32F3N/c1-5-11-21-15(9-10-16(2,3)4)13-7-6-8-14(12-13)17(18,19)20/h13-15,21H,5-12H2,1-4H3
InChIKeyZMZPRLAACXXCHB-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The IUPAC name of 4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine (CID 105140028) is 4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine is CCCNC(CCC(C)(C)C)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The InChIKey is ZMZPRLAACXXCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F3N/c1-5-11-21-15(9-10-16(2,3)4)13-7-6-8-14(12-13)17(18,19)20/h13-15,21H,5-12H2,1-4H3.
What are the key properties of 4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine?
4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine has a molecular weight of 307.44 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine is sourced from PubChem (CID 105140028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).