N-[(4-tert-butylcyclohexyl)methyl]-5,5,5-trifluoropentan-1-amine

C16H30F3N — CID 104575256

IUPACN-[(4-tert-butylcyclohexyl)methyl]-5,5,5-trifluoropentan-1-amine
SMILESCC(C)(C)C1CCC(CNCCCCC(F)(F)F)CC1
InChIInChI=1S/C16H30F3N/c1-15(2,3)14-8-6-13(7-9-14)12-20-11-5-4-10-16(17,18)19/h13-14,20H,4-12H2,1-3H3
InChIKeyFCGZFOYEQKAHOP-UHFFFAOYSA-N
MW293.42 g/mol
LogP5.16
Rot. Bonds6

About N-[(4-tert-butylcyclohexyl)methyl]-5,5,5-trifluoropentan-1-amine

N-[(4-tert-butylcyclohexyl)methyl]-5,5,5-trifluoropentan-1-amine (PubChem CID 104575256) has the molecular formula C16H30F3N and a molecular weight of 293.42 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-5,5,5-trifluoropentan-1-amine
PubChem CID104575256
Molecular FormulaC16H30F3N
Molecular Weight293.42 g/mol
Exact Mass293.23
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-5,5,5-trifluoropentan-1-amine
SMILESCC(C)(C)C1CCC(CNCCCCC(F)(F)F)CC1
InChIInChI=1S/C16H30F3N/c1-15(2,3)14-8-6-13(7-9-14)12-20-11-5-4-10-16(17,18)19/h13-14,20H,4-12H2,1-3H3
InChIKeyFCGZFOYEQKAHOP-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.42
LogP ≤ 55.16
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-5,5,5-trifluoropentan-1-amine (CID 104575256) is N-[(4-tert-butylcyclohexyl)methyl]-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-5,5,5-trifluoropentan-1-amine is CC(C)(C)C1CCC(CNCCCCC(F)(F)F)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-5,5,5-trifluoropentan-1-amine?
The InChIKey is FCGZFOYEQKAHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3N/c1-15(2,3)14-8-6-13(7-9-14)12-20-11-5-4-10-16(17,18)19/h13-14,20H,4-12H2,1-3H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-5,5,5-trifluoropentan-1-amine?
N-[(4-tert-butylcyclohexyl)methyl]-5,5,5-trifluoropentan-1-amine has a molecular weight of 293.42 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 104575256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).