N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

C14H25F4N — CID 106289340

IUPACN-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCC(C)(C)C1CCC(CNCC(F)(F)C(F)F)CC1
InChIInChI=1S/C14H25F4N/c1-13(2,3)11-6-4-10(5-7-11)8-19-9-14(17,18)12(15)16/h10-12,19H,4-9H2,1-3H3
InChIKeyCTEIAVSXDAHRCZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.33
Rot. Bonds5

About N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 106289340) has the molecular formula C14H25F4N and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID106289340
Molecular FormulaC14H25F4N
Molecular Weight283.35 g/mol
Exact Mass283.19
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCC(C)(C)C1CCC(CNCC(F)(F)C(F)F)CC1
InChIInChI=1S/C14H25F4N/c1-13(2,3)11-6-4-10(5-7-11)8-19-9-14(17,18)12(15)16/h10-12,19H,4-9H2,1-3H3
InChIKeyCTEIAVSXDAHRCZ-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-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

Related Compounds

N-[(4-tert-butylcyclohexyl)methyl]-2,2-dimethylpropan-1-amine
CID 104574982
1-[(4-tert-butylcyclohexyl)methylamino]-2-methylbutan-2-ol
CID 104575141
1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104574795
2,2,3,3-tetrafluoro-N-[(2-methylpiperidin-4-yl)methyl]propan-1-amine
CID 106293819
2,2,3,3-tetrafluoro-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106289581
3-[(4-tert-butylcyclohexyl)methylamino]-2-hydroxy-2-methylpropanoic acid
CID 122040928
tert-butyl 3-[(2,2,3,3-tetrafluoropropylamino)methyl]piperidine-1-carboxylate
CID 103529632
N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol
CID 113428497
N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine
CID 114615781
3-methyl-N-(2,2,3,3-tetrafluoropropyl)but-2-en-1-amine
CID 106737170
3-[(4-tert-butylcyclohexyl)methylamino]-2-methylpropanenitrile
CID 113428492

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 106289340) is N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine is CC(C)(C)C1CCC(CNCC(F)(F)C(F)F)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is CTEIAVSXDAHRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F4N/c1-13(2,3)11-6-4-10(5-7-11)8-19-9-14(17,18)12(15)16/h10-12,19H,4-9H2,1-3H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[(4-tert-butylcyclohexyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 283.35 g/mol, XLogP of 4.33, 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]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 106289340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).