N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine

C15H28F3N — CID 107893991

IUPACN-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
SMILESCCCC(C)C(NCC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H28F3N/c1-4-8-11(3)14(19-5-2)12-9-6-7-10-13(12)15(16,17)18/h11-14,19H,4-10H2,1-3H3
InChIKeyPVSQKDQQKBGWHG-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.77
Rot. Bonds6

About N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine

N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine (PubChem CID 107893991) has the molecular formula C15H28F3N and a molecular weight of 279.39 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
PubChem CID107893991
Molecular FormulaC15H28F3N
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC NameN-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
SMILESCCCC(C)C(NCC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H28F3N/c1-4-8-11(3)14(19-5-2)12-9-6-7-10-13(12)15(16,17)18/h11-14,19H,4-10H2,1-3H3
InChIKeyPVSQKDQQKBGWHG-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine (CID 107893991) is N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine is CCCC(C)C(NCC)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The InChIKey is PVSQKDQQKBGWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N/c1-4-8-11(3)14(19-5-2)12-9-6-7-10-13(12)15(16,17)18/h11-14,19H,4-10H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine?
N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine is sourced from PubChem (CID 107893991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).