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

C15H28F3N — CID 104575255

IUPACN-[(4-tert-butylcyclohexyl)methyl]-4,4,4-trifluorobutan-1-amine
SMILESCC(C)(C)C1CCC(CNCCCC(F)(F)F)CC1
InChIInChI=1S/C15H28F3N/c1-14(2,3)13-7-5-12(6-8-13)11-19-10-4-9-15(16,17)18/h12-13,19H,4-11H2,1-3H3
InChIKeyOOOQQANIZBARLS-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.77
Rot. Bonds5

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

N-[(4-tert-butylcyclohexyl)methyl]-4,4,4-trifluorobutan-1-amine (PubChem CID 104575255) has the molecular formula C15H28F3N and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-4,4,4-trifluorobutan-1-amine
PubChem CID104575255
Molecular FormulaC15H28F3N
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-4,4,4-trifluorobutan-1-amine
SMILESCC(C)(C)C1CCC(CNCCCC(F)(F)F)CC1
InChIInChI=1S/C15H28F3N/c1-14(2,3)13-7-5-12(6-8-13)11-19-10-4-9-15(16,17)18/h12-13,19H,4-11H2,1-3H3
InChIKeyOOOQQANIZBARLS-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-tert-butylcyclohexyl)methyl]-4,4,4-trifluorobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-4,4,4-trifluorobutan-1-amine (CID 104575255) is N-[(4-tert-butylcyclohexyl)methyl]-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-4,4,4-trifluorobutan-1-amine is CC(C)(C)C1CCC(CNCCCC(F)(F)F)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-4,4,4-trifluorobutan-1-amine?
The InChIKey is OOOQQANIZBARLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N/c1-14(2,3)13-7-5-12(6-8-13)11-19-10-4-9-15(16,17)18/h12-13,19H,4-11H2,1-3H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-4,4,4-trifluorobutan-1-amine?
N-[(4-tert-butylcyclohexyl)methyl]-4,4,4-trifluorobutan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 4.77, 5 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]-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 104575255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).