5,5,5-trifluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine

C10H18F3N — CID 79607134

IUPAC5,5,5-trifluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(=CCCNCC(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3N/c1-8(2)7-14-6-4-5-9(3)10(11,12)13/h5,8,14H,4,6-7H2,1-3H3
InChIKeyUSXAIYXSOWAACN-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.13
Rot. Bonds5

About 5,5,5-trifluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine

5,5,5-trifluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 79607134) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID79607134
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name5,5,5-trifluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(=CCCNCC(C)C)C(F)(F)F
InChIInChI=1S/C10H18F3N/c1-8(2)7-14-6-4-5-9(3)10(11,12)13/h5,8,14H,4,6-7H2,1-3H3
InChIKeyUSXAIYXSOWAACN-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.13
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

(Z)-N-ethyl-5,5,5-trifluoro-3,4-dimethylpent-3-en-1-amine
CID 90084223
(E)-N-(2,2,2-trifluoroethyl)pent-3-en-1-amine
CID 90945851
(E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
CID 121451126
(E)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451131
N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine
CID 121451140
(Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451142
(Z)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
CID 121451144
6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine
CID 121451147
(2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine
CID 129116402
5-(Trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 131587634
(Z)-1-fluoro-2-methyl-N-(2-methylpropyl)pent-2-en-1-amine
CID 134409229
(E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine;ethane
CID 145111191

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of 5,5,5-trifluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine (CID 79607134) is 5,5,5-trifluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for 5,5,5-trifluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine is CC(=CCCNCC(C)C)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is USXAIYXSOWAACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-8(2)7-14-6-4-5-9(3)10(11,12)13/h5,8,14H,4,6-7H2,1-3H3.
What are the key properties of 5,5,5-trifluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
5,5,5-trifluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 209.25 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 79607134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).