N-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine

C10H18F3N — CID 79607121

IUPACN-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3N/c1-8(10(11,12)13)6-5-7-14-9(2,3)4/h6,14H,5,7H2,1-4H3
InChIKeyMXXFEMJSXMOFND-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.27
Rot. Bonds3

About N-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine

N-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine (PubChem CID 79607121) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is N-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine
PubChem CID79607121
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC NameN-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3N/c1-8(10(11,12)13)6-5-7-14-9(2,3)4/h6,14H,5,7H2,1-4H3
InChIKeyMXXFEMJSXMOFND-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine
CID 79599341
1,1,1-trifluoro-2-methylhex-2-ene
CID 54402325
N-tert-butyl-4,5-dimethylhept-3-en-1-amine
CID 79607630
N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine
CID 104929644
N-tert-butyl-5-ethoxy-4-methylpent-3-en-1-amine
CID 79607207
N-tert-butyl-4-methyl-5-propan-2-yloxypent-3-en-1-amine
CID 79607204
N-tert-butyl-4,6-dimethyloct-3-en-1-amine
CID 79607887
(Z)-1,1,1-trifluoro-2-methylpent-2-ene
CID 58901116
(E)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451131
N-tert-butyl-4-(2,3-difluorophenyl)pent-3-en-1-amine
CID 79606963
N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine
CID 79607366
N-tert-butyl-5-methylhexa-3,5-dien-1-amine
CID 79597878

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine?
The IUPAC name of N-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine (CID 79607121) is N-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine?
The canonical SMILES for N-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine is CC(=CCCNC(C)(C)C)C(F)(F)F.
What is the InChIKey of N-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine?
The InChIKey is MXXFEMJSXMOFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-8(10(11,12)13)6-5-7-14-9(2,3)4/h6,14H,5,7H2,1-4H3.
What are the key properties of N-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine?
N-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine has a molecular weight of 209.25 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79607121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).